N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide

C21H24N4O — CID 20867515

IUPACN-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
SMILESO=C(CCc1nc2cccnc2n1-c1ccccc1)NC1CCCCC1
InChIInChI=1S/C21H24N4O/c26-20(23-16-8-3-1-4-9-16)14-13-19-24-18-12-7-15-22-21(18)25(19)17-10-5-2-6-11-17/h2,5-7,10-12,15-16H,1,3-4,8-9,13-14H2,(H,23,26)
InChIKeyXXTDHDMVEYBLGB-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.80
Rot. Bonds5

About N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide

N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide (PubChem CID 20867515) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
PubChem CID20867515
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
SMILESO=C(CCc1nc2cccnc2n1-c1ccccc1)NC1CCCCC1
InChIInChI=1S/C21H24N4O/c26-20(23-16-8-3-1-4-9-16)14-13-19-24-18-12-7-15-22-21(18)25(19)17-10-5-2-6-11-17/h2,5-7,10-12,15-16H,1,3-4,8-9,13-14H2,(H,23,26)
InChIKeyXXTDHDMVEYBLGB-UHFFFAOYSA-N
XLogP3.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide?
The IUPAC name of N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide (CID 20867515) is N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide is O=C(CCc1nc2cccnc2n1-c1ccccc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide?
The InChIKey is XXTDHDMVEYBLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c26-20(23-16-8-3-1-4-9-16)14-13-19-24-18-12-7-15-22-21(18)25(19)17-10-5-2-6-11-17/h2,5-7,10-12,15-16H,1,3-4,8-9,13-14H2,(H,23,26).
What are the key properties of N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide?
N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide has a molecular weight of 348.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 20867515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).