N-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C23H26Cl2N4O — CID 18734384

IUPACN-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
SMILESCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C23H26Cl2N4O/c1-2-3-14-28(23(30)17-10-6-11-18(24)21(17)25)15-20-27-19-12-7-13-26-22(19)29(20)16-8-4-5-9-16/h6-7,10-13,16H,2-5,8-9,14-15H2,1H3
InChIKeyYKQSKDNNGXURIT-UHFFFAOYSA-N
MW445.39 g/mol
LogP6.30
Rot. Bonds7

About N-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

N-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 18734384) has the molecular formula C23H26Cl2N4O and a molecular weight of 445.39 g/mol. Its IUPAC name is N-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
PubChem CID18734384
Molecular FormulaC23H26Cl2N4O
Molecular Weight445.39 g/mol
Exact Mass444.15
IUPAC NameN-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
SMILESCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C23H26Cl2N4O/c1-2-3-14-28(23(30)17-10-6-11-18(24)21(17)25)15-20-27-19-12-7-13-26-22(19)29(20)16-8-4-5-9-16/h6-7,10-13,16H,2-5,8-9,14-15H2,1H3
InChIKeyYKQSKDNNGXURIT-UHFFFAOYSA-N
XLogP6.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.39
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734574
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-difluoro-N-pentylbenzamide
CID 18734067
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide
CID 18734097
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-pentylbenzamide
CID 18734070
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-methylacetamide
CID 18734143
N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734496
4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733151
5-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733226
N-butyl-2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluorobenzamide
CID 18734412
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide
CID 18734106
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-(2-methylpropyl)benzamide
CID 18734109
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide
CID 18734064

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
The IUPAC name of N-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 18734384) is N-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for N-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
The canonical SMILES for N-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
The InChIKey is YKQSKDNNGXURIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O/c1-2-3-14-28(23(30)17-10-6-11-18(24)21(17)25)15-20-27-19-12-7-13-26-22(19)29(20)16-8-4-5-9-16/h6-7,10-13,16H,2-5,8-9,14-15H2,1H3.
What are the key properties of N-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
N-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 445.39 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 18734384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).