N-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide

C20H25N5O3 — CID 170765149

IUPACN-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCC(C)N(C)c1ccc(C(CO)NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cn1
InChIInChI=1S/C20H25N5O3/c1-12(2)24(3)18-8-6-14(10-21-18)16(11-26)22-19(27)13-5-7-17-15(9-13)23-20(28)25(17)4/h5-10,12,16,26H,11H2,1-4H3,(H,22,27)(H,23,28)
InChIKeyMEAUPQZFNMBOPG-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.57
Rot. Bonds6

About N-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide

N-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 170765149) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID170765149
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCC(C)N(C)c1ccc(C(CO)NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cn1
InChIInChI=1S/C20H25N5O3/c1-12(2)24(3)18-8-6-14(10-21-18)16(11-26)22-19(27)13-5-7-17-15(9-13)23-20(28)25(17)4/h5-10,12,16,26H,11H2,1-4H3,(H,22,27)(H,23,28)
InChIKeyMEAUPQZFNMBOPG-UHFFFAOYSA-N
XLogP1.57
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 174335696
N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 170765084
N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 174274835
6-(2-bromoacetyl)-3-methyl-1H-benzimidazol-2-one
CID 139311717
ethyl N-[(1-methyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]carbamate
CID 86844759
6-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79031520
N-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 86844636
3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721708
3-[[4-[1-[(1-methyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]propyl]triazol-1-yl]methyl]furan-2-carboxylic acid
CID 167759744
2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 171688040
3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid
CID 117404634
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide
CID 138992320

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide (CID 170765149) is N-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide is CC(C)N(C)c1ccc(C(CO)NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cn1.
What is the InChIKey of N-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is MEAUPQZFNMBOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12(2)24(3)18-8-6-14(10-21-18)16(11-26)22-19(27)13-5-7-17-15(9-13)23-20(28)25(17)4/h5-10,12,16,26H,11H2,1-4H3,(H,22,27)(H,23,28).
What are the key properties of N-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
N-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 170765149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).