3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide

C20H22N6O2 — CID 176501446

IUPAC3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnc2cc(C(=O)Nc3ccccc3NC(=O)CN3CCCC3)cnc21
InChIInChI=1S/C20H22N6O2/c1-25-13-22-17-10-14(11-21-19(17)25)20(28)24-16-7-3-2-6-15(16)23-18(27)12-26-8-4-5-9-26/h2-3,6-7,10-11,13H,4-5,8-9,12H2,1H3,(H,23,27)(H,24,28)
InChIKeyBBZAAQQDXBRQQL-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.25
Rot. Bonds5

About 3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide

3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176501446) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176501446
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnc2cc(C(=O)Nc3ccccc3NC(=O)CN3CCCC3)cnc21
InChIInChI=1S/C20H22N6O2/c1-25-13-22-17-10-14(11-21-19(17)25)20(28)24-16-7-3-2-6-15(16)23-18(27)12-26-8-4-5-9-26/h2-3,6-7,10-11,13H,4-5,8-9,12H2,1H3,(H,23,27)(H,24,28)
InChIKeyBBZAAQQDXBRQQL-UHFFFAOYSA-N
XLogP2.25
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide with MolForge

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Related Compounds

3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 75451095
3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 75473310
ethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate
CID 176507137
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(3-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75509490
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide
CID 31339064
3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide
CID 3200252
(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154860646
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 53483863

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 176501446) is 3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide is Cn1cnc2cc(C(=O)Nc3ccccc3NC(=O)CN3CCCC3)cnc21.
What is the InChIKey of 3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is BBZAAQQDXBRQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-25-13-22-17-10-14(11-21-19(17)25)20(28)24-16-7-3-2-6-15(16)23-18(27)12-26-8-4-5-9-26/h2-3,6-7,10-11,13H,4-5,8-9,12H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176501446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).