1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C22H23N7O3 — CID 121116073

IUPAC1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCCn2nc(-c3ccccn3)n(C)c2=O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C22H23N7O3/c1-4-28-13-16(18(30)15-9-8-14(2)25-19(15)28)21(31)24-11-12-29-22(32)27(3)20(26-29)17-7-5-6-10-23-17/h5-10,13H,4,11-12H2,1-3H3,(H,24,31)
InChIKeyXMIUIFCRNASHGS-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.11
Rot. Bonds6

About 1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 121116073) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID121116073
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCCn2nc(-c3ccccn3)n(C)c2=O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C22H23N7O3/c1-4-28-13-16(18(30)15-9-8-14(2)25-19(15)28)21(31)24-11-12-29-22(32)27(3)20(26-29)17-7-5-6-10-23-17/h5-10,13H,4,11-12H2,1-3H3,(H,24,31)
InChIKeyXMIUIFCRNASHGS-UHFFFAOYSA-N
XLogP1.11
TPSA116.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide
CID 121116005
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 90556050
1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 11087497
1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660897
4-bromo-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121116021
1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide
CID 90588663
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide
CID 121116105
N-[2-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 121115984
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 71793304
2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 71793328
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 121116075
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 121116073) is 1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NCCn2nc(-c3ccccn3)n(C)c2=O)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is XMIUIFCRNASHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-4-28-13-16(18(30)15-9-8-14(2)25-19(15)28)21(31)24-11-12-29-22(32)27(3)20(26-29)17-7-5-6-10-23-17/h5-10,13H,4,11-12H2,1-3H3,(H,24,31).
What are the key properties of 1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 121116073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).