2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide

C21H27N5O — CID 170439392

IUPAC2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide
SMILESCC(C)N1CCC(C2CN(c3ccccn3)c3ccccc3N2C(N)=O)C1
InChIInChI=1S/C21H27N5O/c1-15(2)24-12-10-16(13-24)19-14-25(20-9-5-6-11-23-20)17-7-3-4-8-18(17)26(19)21(22)27/h3-9,11,15-16,19H,10,12-14H2,1-2H3,(H2,22,27)
InChIKeyTZGFSKJHQZNOQS-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.22
Rot. Bonds3

About 2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide

2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide (PubChem CID 170439392) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide
PubChem CID170439392
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide
SMILESCC(C)N1CCC(C2CN(c3ccccn3)c3ccccc3N2C(N)=O)C1
InChIInChI=1S/C21H27N5O/c1-15(2)24-12-10-16(13-24)19-14-25(20-9-5-6-11-23-20)17-7-3-4-8-18(17)26(19)21(22)27/h3-9,11,15-16,19H,10,12-14H2,1-2H3,(H2,22,27)
InChIKeyTZGFSKJHQZNOQS-UHFFFAOYSA-N
XLogP3.22
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 114081775
(4aS,8aR)-1-(2-methylpropyl)-6-pyridin-2-yl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70715897
5-amino-4-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide
CID 82013435
3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 169176717
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
N,N-dimethyl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propanamide
CID 43778088
1-pyridin-2-yl-3,4-dihydro-2H-quinolin-4-ol
CID 141319516
4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one
CID 23326517
(3aR,7aS)-1-methyl-5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 58315229
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 4883425
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid
CID 90342902

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide?
The IUPAC name of 2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide (CID 170439392) is 2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for 2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for 2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide is CC(C)N1CCC(C2CN(c3ccccn3)c3ccccc3N2C(N)=O)C1.
What is the InChIKey of 2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide?
The InChIKey is TZGFSKJHQZNOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15(2)24-12-10-16(13-24)19-14-25(20-9-5-6-11-23-20)17-7-3-4-8-18(17)26(19)21(22)27/h3-9,11,15-16,19H,10,12-14H2,1-2H3,(H2,22,27).
What are the key properties of 2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide?
2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 170439392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).