N-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide

C25H24N4O4 — CID 59684199

IUPACN-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide
SMILESCC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2cc(NC(=O)c3cccnc3)ccc2c1
InChIInChI=1S/C25H24N4O4/c1-16(30)14-27-24(32)22-5-3-11-29(22)25(33)19-7-6-18-13-21(9-8-17(18)12-19)28-23(31)20-4-2-10-26-15-20/h2,4,6-10,12-13,15,22H,3,5,11,14H2,1H3,(H,27,32)(H,28,31)/t22-/m0/s1
InChIKeyNOQLOEUOVNFMBS-QFIPXVFZSA-N
MW444.49 g/mol
LogP2.80
Rot. Bonds6

About N-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide

N-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide (PubChem CID 59684199) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide
PubChem CID59684199
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide
SMILESCC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2cc(NC(=O)c3cccnc3)ccc2c1
InChIInChI=1S/C25H24N4O4/c1-16(30)14-27-24(32)22-5-3-11-29(22)25(33)19-7-6-18-13-21(9-8-17(18)12-19)28-23(31)20-4-2-10-26-15-20/h2,4,6-10,12-13,15,22H,3,5,11,14H2,1H3,(H,27,32)(H,28,31)/t22-/m0/s1
InChIKeyNOQLOEUOVNFMBS-QFIPXVFZSA-N
XLogP2.80
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide
CID 50816123
(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51937768
N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134803506
(2S)-1-propanoyl-N-[4-[2-[4-[[(2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 91135720
N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55671213
(2S)-1-(4-benzamidobenzoyl)-N-butylpyrrolidine-2-carboxamide
CID 92729968
(2S)-1-(4-benzamidobenzoyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92729848
(2R)-1-[3-[(3-fluorobenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92895040
N-[(2S)-1-[[(2S)-3-methyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[3-[(2S)-2-[[2-oxo-2-[(2S)-2-(pyridin-3-ylcarbamoyl)pyrrolidin-1-yl]ethyl]carbamoyl]pyrrolidine-1-carbonyl]anilino]butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 177432120
1-[4-[(4-methoxybenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 50829987
1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 50815932
1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966477

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide (CID 59684199) is N-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide is CC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2cc(NC(=O)c3cccnc3)ccc2c1.
What is the InChIKey of N-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide?
The InChIKey is NOQLOEUOVNFMBS-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-16(30)14-27-24(32)22-5-3-11-29(22)25(33)19-7-6-18-13-21(9-8-17(18)12-19)28-23(31)20-4-2-10-26-15-20/h2,4,6-10,12-13,15,22H,3,5,11,14H2,1H3,(H,27,32)(H,28,31)/t22-/m0/s1.
What are the key properties of N-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide?
N-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59684199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).