N-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide

C22H27ClN4O2 — CID 46360002

IUPACN-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCOc1ccc(NC(=O)CCCc2nc3cccnc3n2CCC(C)C)cc1Cl
InChIInChI=1S/C22H27ClN4O2/c1-15(2)11-13-27-20(26-18-6-5-12-24-22(18)27)7-4-8-21(28)25-16-9-10-19(29-3)17(23)14-16/h5-6,9-10,12,14-15H,4,7-8,11,13H2,1-3H3,(H,25,28)
InChIKeyJAHJBXRAKMLPFO-UHFFFAOYSA-N
MW414.94 g/mol
LogP5.10
Rot. Bonds9

About N-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide

N-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide (PubChem CID 46360002) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide
PubChem CID46360002
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCOc1ccc(NC(=O)CCCc2nc3cccnc3n2CCC(C)C)cc1Cl
InChIInChI=1S/C22H27ClN4O2/c1-15(2)11-13-27-20(26-18-6-5-12-24-22(18)27)7-4-8-21(28)25-16-9-10-19(29-3)17(23)14-16/h5-6,9-10,12,14-15H,4,7-8,11,13H2,1-3H3,(H,25,28)
InChIKeyJAHJBXRAKMLPFO-UHFFFAOYSA-N
XLogP5.10
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.94
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide with MolForge

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Related Compounds

N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46359991
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide
CID 46360040
N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360195
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(4-methoxyphenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867188
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butan-1-one
CID 46359973
N-(4-methylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 20867458
N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867614
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 46360141
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008849

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide (CID 46360002) is N-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide is COc1ccc(NC(=O)CCCc2nc3cccnc3n2CCC(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The InChIKey is JAHJBXRAKMLPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-15(2)11-13-27-20(26-18-6-5-12-24-22(18)27)7-4-8-21(28)25-16-9-10-19(29-3)17(23)14-16/h5-6,9-10,12,14-15H,4,7-8,11,13H2,1-3H3,(H,25,28).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide?
N-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide has a molecular weight of 414.94 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide is sourced from PubChem (CID 46360002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).