N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C19H19N5O5 — CID 166195856

IUPACN-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCOc1ccc(NC(=O)c2cccn3c(=O)[nH]nc23)cc1OCC(=O)NC1CC1
InChIInChI=1S/C19H19N5O5/c1-28-14-7-6-12(9-15(14)29-10-16(25)20-11-4-5-11)21-18(26)13-3-2-8-24-17(13)22-23-19(24)27/h2-3,6-9,11H,4-5,10H2,1H3,(H,20,25)(H,21,26)(H,23,27)
InChIKeyRMWWKDFLZVTWMR-UHFFFAOYSA-N
MW397.39 g/mol
LogP0.94
Rot. Bonds7

About N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 166195856) has the molecular formula C19H19N5O5 and a molecular weight of 397.39 g/mol. Its IUPAC name is N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID166195856
Molecular FormulaC19H19N5O5
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC NameN-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCOc1ccc(NC(=O)c2cccn3c(=O)[nH]nc23)cc1OCC(=O)NC1CC1
InChIInChI=1S/C19H19N5O5/c1-28-14-7-6-12(9-15(14)29-10-16(25)20-11-4-5-11)21-18(26)13-3-2-8-24-17(13)22-23-19(24)27/h2-3,6-9,11H,4-5,10H2,1H3,(H,20,25)(H,21,26)(H,23,27)
InChIKeyRMWWKDFLZVTWMR-UHFFFAOYSA-N
XLogP0.94
TPSA126.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide
CID 166280695
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide
CID 119717551
2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621658
2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride
CID 119717548
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride
CID 119717546
(2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride
CID 120786885
N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 166206428
2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 84574680
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide
CID 55843901
[2-(cyclopropylamino)-2-oxoethyl]-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 9052930
3-N-cyclopropyl-1-N-(3,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109050802
2-(2-methoxyphenoxy)-N-piperidin-4-ylacetamide
CID 28810945

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 166195856) is N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is COc1ccc(NC(=O)c2cccn3c(=O)[nH]nc23)cc1OCC(=O)NC1CC1.
What is the InChIKey of N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is RMWWKDFLZVTWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5/c1-28-14-7-6-12(9-15(14)29-10-16(25)20-11-4-5-11)21-18(26)13-3-2-8-24-17(13)22-23-19(24)27/h2-3,6-9,11H,4-5,10H2,1H3,(H,20,25)(H,21,26)(H,23,27).
What are the key properties of N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 166195856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).