1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide

C23H24N4O3 — CID 654366

IUPAC1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C23H24N4O3/c1-3-26-14-19(20(28)18-11-6-15(2)24-21(18)26)22(29)25-17-9-7-16(8-10-17)23(30)27-12-4-5-13-27/h6-11,14H,3-5,12-13H2,1-2H3,(H,25,29)
InChIKeySSNAAFJRYHKUOM-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.21
Rot. Bonds4

About 1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide

1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 654366) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide
PubChem CID654366
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C23H24N4O3/c1-3-26-14-19(20(28)18-11-6-15(2)24-21(18)26)22(29)25-17-9-7-16(8-10-17)23(30)27-12-4-5-13-27/h6-11,14H,3-5,12-13H2,1-2H3,(H,25,29)
InChIKeySSNAAFJRYHKUOM-UHFFFAOYSA-N
XLogP3.21
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-butan-2-ylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 3188582
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
N-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 45278452
N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide
CID 53087029
2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
CID 53087039
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253
1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660897
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 29111432
1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 90622203
1-ethyl-7-methoxy-4-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 162624409
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 43811695

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide (CID 654366) is 1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is SSNAAFJRYHKUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-3-26-14-19(20(28)18-11-6-15(2)24-21(18)26)22(29)25-17-9-7-16(8-10-17)23(30)27-12-4-5-13-27/h6-11,14H,3-5,12-13H2,1-2H3,(H,25,29).
What are the key properties of 1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide?
1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 654366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).