N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide

C29H24N6O — CID 5013877

IUPACN-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C29H24N6O/c36-29(35-17-14-21(19-35)20-8-2-1-3-9-20)32-22-12-13-23-26(18-22)34-28(25-11-5-7-16-31-25)27(33-23)24-10-4-6-15-30-24/h1-13,15-16,18,21H,14,17,19H2,(H,32,36)
InChIKeyGIHBZHPARCNNGI-UHFFFAOYSA-N
MW472.55 g/mol
LogP5.78
Rot. Bonds4

About N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide

N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide (PubChem CID 5013877) has the molecular formula C29H24N6O and a molecular weight of 472.55 g/mol. Its IUPAC name is N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
PubChem CID5013877
Molecular FormulaC29H24N6O
Molecular Weight472.55 g/mol
Exact Mass472.20
IUPAC NameN-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C29H24N6O/c36-29(35-17-14-21(19-35)20-8-2-1-3-9-20)32-22-12-13-23-26(18-22)34-28(25-11-5-7-16-31-25)27(33-23)24-10-4-6-15-30-24/h1-13,15-16,18,21H,14,17,19H2,(H,32,36)
InChIKeyGIHBZHPARCNNGI-UHFFFAOYSA-N
XLogP5.78
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
CID 2925607
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
(3S)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-phenylpyrrolidine-1-carboxamide
CID 124593890
N-(2,3-dipyridin-2-ylquinoxalin-6-yl)pyrrolidine-1-carbothioamide
CID 1331085
O-[4-[(2,3-diphenylquinoxalin-6-yl)carbamoyl]phenyl] (3S)-3-phenylpyrrolidine-1-carbothioate
CID 126338463
4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide
CID 22340375
4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 51119005
(1R,5R)-N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 98141713
3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 86871510
(1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide
CID 169175983
N-(3,4-dimethoxyphenyl)-3-phenylazepane-1-carboxamide
CID 90608592

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide (CID 5013877) is N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide is O=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide?
The InChIKey is GIHBZHPARCNNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O/c36-29(35-17-14-21(19-35)20-8-2-1-3-9-20)32-22-12-13-23-26(18-22)34-28(25-11-5-7-16-31-25)27(33-23)24-10-4-6-15-30-24/h1-13,15-16,18,21H,14,17,19H2,(H,32,36).
What are the key properties of N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide?
N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 5013877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).