N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide

C21H23N5O — CID 176506963

IUPACN-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1cnc2c(c1)ncn2C1CC1
InChIInChI=1S/C21H23N5O/c27-21(16-10-19-20(22-11-16)26(14-23-19)18-6-7-18)24-17-8-9-25(13-17)12-15-4-2-1-3-5-15/h1-5,10-11,14,17-18H,6-9,12-13H2,(H,24,27)
InChIKeyRATNTTHMFSFIIH-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.77
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide

N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176506963) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176506963
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1cnc2c(c1)ncn2C1CC1
InChIInChI=1S/C21H23N5O/c27-21(16-10-19-20(22-11-16)26(14-23-19)18-6-7-18)24-17-8-9-25(13-17)12-15-4-2-1-3-5-15/h1-5,10-11,14,17-18H,6-9,12-13H2,(H,24,27)
InChIKeyRATNTTHMFSFIIH-UHFFFAOYSA-N
XLogP2.77
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176506320
N-[(3S)-1-benzylpyrrolidin-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 25474035
N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24632331
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
3-cyclopropyl-N-(2-morpholin-4-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175644669
N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide
CID 44533094
N-(oxolan-3-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175641497
N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide
CID 176505536
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
CID 171061363
2-amino-N-(1-benzylpyrrolidin-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326299

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide (CID 176506963) is N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide is O=C(NC1CCN(Cc2ccccc2)C1)c1cnc2c(c1)ncn2C1CC1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is RATNTTHMFSFIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(16-10-19-20(22-11-16)26(14-23-19)18-6-7-18)24-17-8-9-25(13-17)12-15-4-2-1-3-5-15/h1-5,10-11,14,17-18H,6-9,12-13H2,(H,24,27).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176506963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).