N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide

C24H24N4O — CID 95097061

IUPACN-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
SMILESCCCn1c(-c2cccc(C(=O)N[C@H](C)c3ccccc3)c2)nc2cccnc21
InChIInChI=1S/C24H24N4O/c1-3-15-28-22(27-21-13-8-14-25-23(21)28)19-11-7-12-20(16-19)24(29)26-17(2)18-9-5-4-6-10-18/h4-14,16-17H,3,15H2,1-2H3,(H,26,29)/t17-/m1/s1
InChIKeyKHELFRDXNHLTQN-QGZVFWFLSA-N
MW384.48 g/mol
LogP5.00
Rot. Bonds6

About N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide

N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide (PubChem CID 95097061) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
PubChem CID95097061
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
SMILESCCCn1c(-c2cccc(C(=O)N[C@H](C)c3ccccc3)c2)nc2cccnc21
InChIInChI=1S/C24H24N4O/c1-3-15-28-22(27-21-13-8-14-25-23(21)28)19-11-7-12-20(16-19)24(29)26-17(2)18-9-5-4-6-10-18/h4-14,16-17H,3,15H2,1-2H3,(H,26,29)/t17-/m1/s1
InChIKeyKHELFRDXNHLTQN-QGZVFWFLSA-N
XLogP5.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide (CID 95097061) is N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide is CCCn1c(-c2cccc(C(=O)N[C@H](C)c3ccccc3)c2)nc2cccnc21.
What is the InChIKey of N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide?
The InChIKey is KHELFRDXNHLTQN-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24N4O/c1-3-15-28-22(27-21-13-8-14-25-23(21)28)19-11-7-12-20(16-19)24(29)26-17(2)18-9-5-4-6-10-18/h4-14,16-17H,3,15H2,1-2H3,(H,26,29)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide?
N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide has a molecular weight of 384.48 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide is sourced from PubChem (CID 95097061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).