1-ethyl-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C20H19N7O3 — CID 646376

IUPAC1-ethyl-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(-n3cnnn3)c(OC)c2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H19N7O3/c1-4-26-10-15(18(28)14-7-5-12(2)22-19(14)26)20(29)23-13-6-8-16(17(9-13)30-3)27-11-21-24-25-27/h5-11H,4H2,1-3H3,(H,23,29)
InChIKeyZOOWBHNOPXCIBD-UHFFFAOYSA-N
MW405.42 g/mol
LogP1.96
Rot. Bonds5

About 1-ethyl-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 646376) has the molecular formula C20H19N7O3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 1-ethyl-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID646376
Molecular FormulaC20H19N7O3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name1-ethyl-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(-n3cnnn3)c(OC)c2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H19N7O3/c1-4-26-10-15(18(28)14-7-5-12(2)22-19(14)26)20(29)23-13-6-8-16(17(9-13)30-3)27-11-21-24-25-27/h5-11H,4H2,1-3H3,(H,23,29)
InChIKeyZOOWBHNOPXCIBD-UHFFFAOYSA-N
XLogP1.96
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,5-dimethoxyphenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3737424
13-[2-Methoxy-4-(4-methylpiperazin-1-yl)anilino]-3-methyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide
CID 60152327
2-(3-Ethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-N-(3-methoxy-4-tetrazol-1-yl-phenyl)-acetamide
CID 1448497
N-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-1-yl)nicotinamide
CID 1478826
N-(2,5-Dimethoxyphenyl)-2-[3-(4-ethylbenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-YL]acetamide
CID 16024613
N-(2,5-dimethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 45908781
N-(2-ethoxyphenyl)-6-(1H-1,2,4-triazol-1-yl)nicotinamide
CID 5152637
2-[2-Methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
CID 172454329
1-Ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one
CID 171351365
1-Ethyl-N-(2-methoxyphenyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 757198
1-ethyl-N-(3-methoxyphenyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 757199
N-(2-ethoxyphenyl)(1-ethyl-7-methyl-4-oxohydropyridino[2,3-b]pyridin-3-yl)carb oxamide
CID 1074989

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 646376) is 1-ethyl-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)Nc2ccc(-n3cnnn3)c(OC)c2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is ZOOWBHNOPXCIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3/c1-4-26-10-15(18(28)14-7-5-12(2)22-19(14)26)20(29)23-13-6-8-16(17(9-13)30-3)27-11-21-24-25-27/h5-11H,4H2,1-3H3,(H,23,29).
What are the key properties of 1-ethyl-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 405.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 646376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).