N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide

C26H27N5O — CID 92706241

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1
InChIInChI=1S/C26H27N5O/c1-2-30-17-7-10-22(30)18-28-26(32)20-12-14-21(15-13-20)31-24(19-8-4-3-5-9-19)29-23-11-6-16-27-25(23)31/h3-6,8-9,11-16,22H,2,7,10,17-18H2,1H3,(H,28,32)/t22-/m1/s1
InChIKeyBTTIZUZPXPYDJA-JOCHJYFZSA-N
MW425.54 g/mol
LogP4.30
Rot. Bonds6

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 92706241) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
PubChem CID92706241
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1
InChIInChI=1S/C26H27N5O/c1-2-30-17-7-10-22(30)18-28-26(32)20-12-14-21(15-13-20)31-24(19-8-4-3-5-9-19)29-23-11-6-16-27-25(23)31/h3-6,8-9,11-16,22H,2,7,10,17-18H2,1H3,(H,28,32)/t22-/m1/s1
InChIKeyBTTIZUZPXPYDJA-JOCHJYFZSA-N
XLogP4.30
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 92895804
[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone
CID 20916124
4-(2-phenylimidazo[4,5-b]pyridin-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 20916096
[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone
CID 20916120
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 7642453
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
CID 46352760
N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 43403017

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide (CID 92706241) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide is CCN1CCC[C@@H]1CNC(=O)c1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is BTTIZUZPXPYDJA-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27N5O/c1-2-30-17-7-10-22(30)18-28-26(32)20-12-14-21(15-13-20)31-24(19-8-4-3-5-9-19)29-23-11-6-16-27-25(23)31/h3-6,8-9,11-16,22H,2,7,10,17-18H2,1H3,(H,28,32)/t22-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 425.54 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 92706241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).