4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C19H21N5O3 — CID 172662084

IUPAC4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCO2)c(=O)c1C(=O)Nc1cccc2c1nnn2C
InChIInChI=1S/C19H21N5O3/c1-12-8-9-24(11-13-5-4-10-27-13)19(26)16(12)18(25)20-14-6-3-7-15-17(14)21-22-23(15)2/h3,6-9,13H,4-5,10-11H2,1-2H3,(H,20,25)
InChIKeyRCENBQWAKNMJLW-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.87
Rot. Bonds4

About 4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide

4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 172662084) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID172662084
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCO2)c(=O)c1C(=O)Nc1cccc2c1nnn2C
InChIInChI=1S/C19H21N5O3/c1-12-8-9-24(11-13-5-4-10-27-13)19(26)16(12)18(25)20-14-6-3-7-15-17(14)21-22-23(15)2/h3,6-9,13H,4-5,10-11H2,1-2H3,(H,20,25)
InChIKeyRCENBQWAKNMJLW-UHFFFAOYSA-N
XLogP1.87
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyridine-3-carboxamide
CID 172660780
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172666834
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide
CID 172672246
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 172657074
methyl 3-fluoro-5-[[4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carbonyl]amino]benzoate
CID 172656404
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide
CID 172671508
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyridine-3-carboxamide
CID 172670300
N-[2-[2-(hydroxymethyl)benzimidazol-1-yl]ethyl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 110204706
4-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172671485
4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 172664709
4-methyl-1-(oxolan-2-ylmethyl)-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)pyridin-2-one
CID 172666689
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 172657246

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 172662084) is 4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide is Cc1ccn(CC2CCCO2)c(=O)c1C(=O)Nc1cccc2c1nnn2C.
What is the InChIKey of 4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is RCENBQWAKNMJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-8-9-24(11-13-5-4-10-27-13)19(26)16(12)18(25)20-14-6-3-7-15-17(14)21-22-23(15)2/h3,6-9,13H,4-5,10-11H2,1-2H3,(H,20,25).
What are the key properties of 4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172662084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).