N-(4-aminocyclohexyl)-3-(2,6-dimethylanilino)-2-(2-phenylethyl)imidazo[1,2-a]pyridine-8-carboxamide

C30H35N5O — CID 23937198

IUPACN-(4-aminocyclohexyl)-3-(2,6-dimethylanilino)-2-(2-phenylethyl)imidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1cccc(C)c1Nc1c(CCc2ccccc2)nc2c(C(=O)NC3CCC(N)CC3)cccn12
InChIInChI=1S/C30H35N5O/c1-20-8-6-9-21(2)27(20)34-29-26(18-13-22-10-4-3-5-11-22)33-28-25(12-7-19-35(28)29)30(36)32-24-16-14-23(31)15-17-24/h3-12,19,23-24,34H,13-18,31H2,1-2H3,(H,32,36)
InChIKeyQHUASBFFPGDCSO-UHFFFAOYSA-N
MW481.64 g/mol
LogP5.48
Rot. Bonds7

About N-(4-aminocyclohexyl)-3-(2,6-dimethylanilino)-2-(2-phenylethyl)imidazo[1,2-a]pyridine-8-carboxamide

N-(4-aminocyclohexyl)-3-(2,6-dimethylanilino)-2-(2-phenylethyl)imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 23937198) has the molecular formula C30H35N5O and a molecular weight of 481.64 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(2,6-dimethylanilino)-2-(2-phenylethyl)imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(2,6-dimethylanilino)-2-(2-phenylethyl)imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID23937198
Molecular FormulaC30H35N5O
Molecular Weight481.64 g/mol
Exact Mass481.28
IUPAC NameN-(4-aminocyclohexyl)-3-(2,6-dimethylanilino)-2-(2-phenylethyl)imidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1cccc(C)c1Nc1c(CCc2ccccc2)nc2c(C(=O)NC3CCC(N)CC3)cccn12
InChIInChI=1S/C30H35N5O/c1-20-8-6-9-21(2)27(20)34-29-26(18-13-22-10-4-3-5-11-22)33-28-25(12-7-19-35(28)29)30(36)32-24-16-14-23(31)15-17-24/h3-12,19,23-24,34H,13-18,31H2,1-2H3,(H,32,36)
InChIKeyQHUASBFFPGDCSO-UHFFFAOYSA-N
XLogP5.48
TPSA84.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(2,6-dimethylanilino)-2-(2-phenylethyl)imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-(2,6-dimethylanilino)-2-(2-phenylethyl)imidazo[1,2-a]pyridine-8-carboxamide (CID 23937198) is N-(4-aminocyclohexyl)-3-(2,6-dimethylanilino)-2-(2-phenylethyl)imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(2,6-dimethylanilino)-2-(2-phenylethyl)imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(2,6-dimethylanilino)-2-(2-phenylethyl)imidazo[1,2-a]pyridine-8-carboxamide is Cc1cccc(C)c1Nc1c(CCc2ccccc2)nc2c(C(=O)NC3CCC(N)CC3)cccn12.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(2,6-dimethylanilino)-2-(2-phenylethyl)imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is QHUASBFFPGDCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O/c1-20-8-6-9-21(2)27(20)34-29-26(18-13-22-10-4-3-5-11-22)33-28-25(12-7-19-35(28)29)30(36)32-24-16-14-23(31)15-17-24/h3-12,19,23-24,34H,13-18,31H2,1-2H3,(H,32,36).
What are the key properties of N-(4-aminocyclohexyl)-3-(2,6-dimethylanilino)-2-(2-phenylethyl)imidazo[1,2-a]pyridine-8-carboxamide?
N-(4-aminocyclohexyl)-3-(2,6-dimethylanilino)-2-(2-phenylethyl)imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 481.64 g/mol, XLogP of 5.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(2,6-dimethylanilino)-2-(2-phenylethyl)imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 23937198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).