3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen

C57H64N10O10 — CID 159086698

IUPAC3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen
SMILESCC(C)(C)c1c[nH]c(=O)c(N)c1.CC(C)(C)c1c[nH]c(=O)c([N+](=O)[O-])c1.Cn1c(C(=O)Nc2cc(C(C)(C)C)c[nH]c2=O)cc2cccc(Oc3ccncc3)c21.Cn1c(C(=O)O)cc2cccc(Oc3ccncc3)c21.[H][H]
InChIInChI=1S/C24H24N4O3.C15H12N2O3.C9H12N2O3.C9H14N2O.H2/c1-24(2,3)16-13-18(22(29)26-14-16)27-23(30)19-12-15-6-5-7-20(21(15)28(19)4)31-17-8-10-25-11-9-17;1-17-12(15(18)19)9-10-3-2-4-13(14(10)17)20-11-5-7-16-8-6-11;1-9(2,3)6-4-7(11(13)14)8(12)10-5-6;1-9(2,3)6-4-7(10)8(12)11-5-6;/h5-14H,1-4H3,(H,26,29)(H,27,30);2-9H,1H3,(H,18,19);4-5H,1-3H3,(H,10,12);4-5H,10H2,1-3H3,(H,11,12);1H
InChIKeyKBNIHCDAFORVSQ-UHFFFAOYSA-N
MW1049.20 g/mol
LogP10.75
Rot. Bonds8

About 3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen

3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen (PubChem CID 159086698) has the molecular formula C57H64N10O10 and a molecular weight of 1049.20 g/mol. Its IUPAC name is 3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen.

Molecular Properties

Compound Name3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen
PubChem CID159086698
Molecular FormulaC57H64N10O10
Molecular Weight1049.20 g/mol
Exact Mass1048.48
IUPAC Name3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen
SMILESCC(C)(C)c1c[nH]c(=O)c(N)c1.CC(C)(C)c1c[nH]c(=O)c([N+](=O)[O-])c1.Cn1c(C(=O)Nc2cc(C(C)(C)C)c[nH]c2=O)cc2cccc(Oc3ccncc3)c21.Cn1c(C(=O)O)cc2cccc(Oc3ccncc3)c21.[H][H]
InChIInChI=1S/C24H24N4O3.C15H12N2O3.C9H12N2O3.C9H14N2O.H2/c1-24(2,3)16-13-18(22(29)26-14-16)27-23(30)19-12-15-6-5-7-20(21(15)28(19)4)31-17-8-10-25-11-9-17;1-17-12(15(18)19)9-10-3-2-4-13(14(10)17)20-11-5-7-16-8-6-11;1-9(2,3)6-4-7(11(13)14)8(12)10-5-6;1-9(2,3)6-4-7(10)8(12)11-5-6;/h5-14H,1-4H3,(H,26,29)(H,27,30);2-9H,1H3,(H,18,19);4-5H,1-3H3,(H,10,12);4-5H,10H2,1-3H3,(H,11,12);1H
InChIKeyKBNIHCDAFORVSQ-UHFFFAOYSA-N
XLogP10.75
TPSA288.24 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001049.20
LogP ≤ 510.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen with MolForge

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Related Compounds

(Z)-but-2-enedioic acid;N-[6-[2-[4-[(5-ethoxypyridin-2-yl)methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxypyridin-3-yl]-N-methyl-4-(trifluoromethyl)benzamide
CID 68495258
but-2-enedioic acid;N-[6-[2-[4-[(5-ethoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 68495260
(Z)-but-2-enedioic acid;N-methyl-N-[6-[1-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]indol-5-yl]oxypyridin-3-yl]-4-(trifluoromethyl)benzamide
CID 68495979
but-2-enedioic acid;N-methyl-N-[6-[1-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 68495981
1-Methyl-7-[5-[[4-(trifluoromethyl)benzoyl]amino]pyridin-2-yl]oxyindole-2-carboxylic acid
CID 68497766
(Z)-but-2-enedioic acid;N-[6-[2-[4-[(5-methoxypyridin-2-yl)methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxypyridin-3-yl]-N-methyl-4-(trifluoromethyl)benzamide
CID 68499617
but-2-enedioic acid;N-[6-[2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 68499619
N-[6-[1-methyl-2-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]indol-7-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;oxalic acid
CID 159272732
N-[6-[1-methyl-2-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]indol-7-yl]oxypyridin-3-yl]-4-(trifluoromethyl)benzamide;oxalic acid
CID 160337720
(S)-2-{(2S,3S)-2-[(S)-2-{[3-(6-Guanidino-hexyl)-7-(5-guanidino-pentyloxy)-1H-indole-2-carbonyl]-amino}-3-(1H-indol-3-yl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid with di TFA
CID 44274487
7-[[2-[(Dimethylamino)methyl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline
CID 162622377
1-methyl-7-(pyridin-4-yloxy)-1H-indole-2-carboxylic acid [5-tert-butyl-2-methoxy-3-(2-oxo-pyrrolidin-1-yl)-phenyl]-amide
CID 11555320

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen?
The IUPAC name of 3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen (CID 159086698) is 3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen.
What is the SMILES notation for 3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen?
The canonical SMILES for 3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen is CC(C)(C)c1c[nH]c(=O)c(N)c1.CC(C)(C)c1c[nH]c(=O)c([N+](=O)[O-])c1.Cn1c(C(=O)Nc2cc(C(C)(C)C)c[nH]c2=O)cc2cccc(Oc3ccncc3)c21.Cn1c(C(=O)O)cc2cccc(Oc3ccncc3)c21.[H][H].
What is the InChIKey of 3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen?
The InChIKey is KBNIHCDAFORVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3.C15H12N2O3.C9H12N2O3.C9H14N2O.H2/c1-24(2,3)16-13-18(22(29)26-14-16)27-23(30)19-12-15-6-5-7-20(21(15)28(19)4)31-17-8-10-25-11-9-17;1-17-12(15(18)19)9-10-3-2-4-13(14(10)17)20-11-5-7-16-8-6-11;1-9(2,3)6-4-7(11(13)14)8(12)10-5-6;1-9(2,3)6-4-7(10)8(12)11-5-6;/h5-14H,1-4H3,(H,26,29)(H,27,30);2-9H,1H3,(H,18,19);4-5H,1-3H3,(H,10,12);4-5H,10H2,1-3H3,(H,11,12);1H.
What are the key properties of 3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen?
3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen has a molecular weight of 1049.20 g/mol, XLogP of 10.75, 8 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-3-nitro-1H-pyridin-2-one;N-(5-tert-butyl-2-oxo-1H-pyridin-3-yl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;1-methyl-7-pyridin-4-yloxyindole-2-carboxylic acid;molecular hydrogen is sourced from PubChem (CID 159086698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).