N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-1-enyl)-2-oxo-1,5-naphthyridine-3-carboxamide

C27H31FN4O3 — CID 69482772

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-1-enyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C=C(C)C)c1=O
InChIInChI=1S/C27H31FN4O3/c1-4-31-11-5-6-21(31)15-30-26(34)23-25(33)24-22(32(27(23)35)16-17(2)3)13-19(14-29-24)12-18-7-9-20(28)10-8-18/h7-10,13-14,16,21,33H,4-6,11-12,15H2,1-3H3,(H,30,34)
InChIKeyJJZFMJPXNAKFDK-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.93
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-1-enyl)-2-oxo-1,5-naphthyridine-3-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-1-enyl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69482772) has the molecular formula C27H31FN4O3 and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-1-enyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-1-enyl)-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID69482772
Molecular FormulaC27H31FN4O3
Molecular Weight478.57 g/mol
Exact Mass478.24
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-1-enyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C=C(C)C)c1=O
InChIInChI=1S/C27H31FN4O3/c1-4-31-11-5-6-21(31)15-30-26(34)23-25(33)24-22(32(27(23)35)16-17(2)3)13-19(14-29-24)12-18-7-9-20(28)10-8-18/h7-10,13-14,16,21,33H,4-6,11-12,15H2,1-3H3,(H,30,34)
InChIKeyJJZFMJPXNAKFDK-UHFFFAOYSA-N
XLogP3.93
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69482566
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(methanesulfonamido)ethyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide
CID 69482763
7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
CID 57401613
N-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 58882911
1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide
CID 69482455
2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid
CID 69482559
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-carboxamide
CID 69482548
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluoro-6-hydroxybenzamide
CID 47465818
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69480387
1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69480963

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-1-enyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-1-enyl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69482772) is N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-1-enyl)-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-1-enyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-1-enyl)-2-oxo-1,5-naphthyridine-3-carboxamide is CCN1CCCC1CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C=C(C)C)c1=O.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-1-enyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is JJZFMJPXNAKFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O3/c1-4-31-11-5-6-21(31)15-30-26(34)23-25(33)24-22(32(27(23)35)16-17(2)3)13-19(14-29-24)12-18-7-9-20(28)10-8-18/h7-10,13-14,16,21,33H,4-6,11-12,15H2,1-3H3,(H,30,34).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-1-enyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-1-enyl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-1-enyl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).