N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide

C19H23N5O — CID 97342015

IUPACN-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)c2cnc3c(c2)ncn3C)N(C)C)cc1
InChIInChI=1S/C19H23N5O/c1-13-5-7-14(8-6-13)17(23(2)3)11-21-19(25)15-9-16-18(20-10-15)24(4)12-22-16/h5-10,12,17H,11H2,1-4H3,(H,21,25)/t17-/m1/s1
InChIKeySFVODHWHEHGAEG-QGZVFWFLSA-N
MW337.43 g/mol
LogP2.31
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide

N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 97342015) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID97342015
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)c2cnc3c(c2)ncn3C)N(C)C)cc1
InChIInChI=1S/C19H23N5O/c1-13-5-7-14(8-6-13)17(23(2)3)11-21-19(25)15-9-16-18(20-10-15)24(4)12-22-16/h5-10,12,17H,11H2,1-4H3,(H,21,25)/t17-/m1/s1
InChIKeySFVODHWHEHGAEG-QGZVFWFLSA-N
XLogP2.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110013000
N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 138042785
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 47082065
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
CID 7496074
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 74236464
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70752326
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110016437
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75499936
3-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504455
3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea
CID 60597801
N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75524263

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide (CID 97342015) is N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide is Cc1ccc([C@@H](CNC(=O)c2cnc3c(c2)ncn3C)N(C)C)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is SFVODHWHEHGAEG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-5-7-14(8-6-13)17(23(2)3)11-21-19(25)15-9-16-18(20-10-15)24(4)12-22-16/h5-10,12,17H,11H2,1-4H3,(H,21,25)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 97342015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).