N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide

C22H22N4OS — CID 20867634

IUPACN-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCc1cccc(C)c1NC(=O)CCc1nc2cccnc2n1Cc1cccs1
InChIInChI=1S/C22H22N4OS/c1-15-6-3-7-16(2)21(15)25-20(27)11-10-19-24-18-9-4-12-23-22(18)26(19)14-17-8-5-13-28-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,25,27)
InChIKeyNJLJQQOTUNNTBM-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.73
Rot. Bonds6

About N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide

N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 20867634) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID20867634
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC NameN-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCc1cccc(C)c1NC(=O)CCc1nc2cccnc2n1Cc1cccs1
InChIInChI=1S/C22H22N4OS/c1-15-6-3-7-16(2)21(15)25-20(27)11-10-19-24-18-9-4-12-23-22(18)26(19)14-17-8-5-13-28-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,25,27)
InChIKeyNJLJQQOTUNNTBM-UHFFFAOYSA-N
XLogP4.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867614
N-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867637
ethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate
CID 20867609
3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
CID 20867618
N-(4-methoxyphenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867188
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 22582716
N-(4-methylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 20867458
3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289173
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 46344277
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 46360068
(E)-but-2-enedioic acid;2-(piperidin-4-ylmethyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 157474822
2-(oxan-3-ylmethyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164115

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (CID 20867634) is N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is Cc1cccc(C)c1NC(=O)CCc1nc2cccnc2n1Cc1cccs1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is NJLJQQOTUNNTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-15-6-3-7-16(2)21(15)25-20(27)11-10-19-24-18-9-4-12-23-22(18)26(19)14-17-8-5-13-28-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,25,27).
What are the key properties of N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 390.51 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 20867634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).