1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide

C21H23N5O2 — CID 172664831

IUPAC1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide
SMILESCc1cn(CCNC(=O)c2c(C)ccn(-c3cccc4c3CCC4)c2=O)nn1
InChIInChI=1S/C21H23N5O2/c1-14-9-11-26(18-8-4-6-16-5-3-7-17(16)18)21(28)19(14)20(27)22-10-12-25-13-15(2)23-24-25/h4,6,8-9,11,13H,3,5,7,10,12H2,1-2H3,(H,22,27)
InChIKeyNNIJXXGQGDXMOH-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.96
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide

1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide (PubChem CID 172664831) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide
PubChem CID172664831
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide
SMILESCc1cn(CCNC(=O)c2c(C)ccn(-c3cccc4c3CCC4)c2=O)nn1
InChIInChI=1S/C21H23N5O2/c1-14-9-11-26(18-8-4-6-16-5-3-7-17(16)18)21(28)19(14)20(27)22-10-12-25-13-15(2)23-24-25/h4,6,8-9,11,13H,3,5,7,10,12H2,1-2H3,(H,22,27)
InChIKeyNNIJXXGQGDXMOH-UHFFFAOYSA-N
XLogP1.96
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172657422
1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxopyridine-3-carboxamide
CID 172659026
1-(2,3-dihydro-1H-inden-4-yl)-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172658005
1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-3-carboxamide
CID 172672760
3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one
CID 172659336
1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one
CID 172665955
3-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one
CID 172662857
1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172664608
3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one
CID 172672864
1-(2-methoxyphenyl)-4-methyl-2-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
CID 172669693
4-ethyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154818152
5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 91839647

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide (CID 172664831) is 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide is Cc1cn(CCNC(=O)c2c(C)ccn(-c3cccc4c3CCC4)c2=O)nn1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is NNIJXXGQGDXMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-9-11-26(18-8-4-6-16-5-3-7-17(16)18)21(28)19(14)20(27)22-10-12-25-13-15(2)23-24-25/h4,6,8-9,11,13H,3,5,7,10,12H2,1-2H3,(H,22,27).
What are the key properties of 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide?
1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172664831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).