N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

C28H33N3O3 — CID 162203525

IUPACN-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(-c2cnc3c(c2)C(C2=CC(C)N(C(=O)NC4CCCC4)CC2)=CC3)cc1OC
InChIInChI=1S/C28H33N3O3/c1-18-14-20(12-13-31(18)28(32)30-22-6-4-5-7-22)23-9-10-25-24(23)15-21(17-29-25)19-8-11-26(33-2)27(16-19)34-3/h8-9,11,14-18,22H,4-7,10,12-13H2,1-3H3,(H,30,32)
InChIKeyZRWXFOPSAVDBAF-UHFFFAOYSA-N
MW459.59 g/mol
LogP5.38
Rot. Bonds5

About N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 162203525) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID162203525
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC NameN-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(-c2cnc3c(c2)C(C2=CC(C)N(C(=O)NC4CCCC4)CC2)=CC3)cc1OC
InChIInChI=1S/C28H33N3O3/c1-18-14-20(12-13-31(18)28(32)30-22-6-4-5-7-22)23-9-10-25-24(23)15-21(17-29-25)19-8-11-26(33-2)27(16-19)34-3/h8-9,11,14-18,22H,4-7,10,12-13H2,1-3H3,(H,30,32)
InChIKeyZRWXFOPSAVDBAF-UHFFFAOYSA-N
XLogP5.38
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 160817257
N-cyclopropyl-6-methyl-4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 158873872
N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 122602778
N-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide
CID 162100274
N-cyclopentyl-6-methyl-4-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 122603007
4-[3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridin-5-yl]-N-methylbenzamide
CID 147113310
N-cyclohexyl-2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 91776186
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide
CID 155537883
N-cyclohexyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90421015
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855267
N-cyclopentyl-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1139685

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 162203525) is N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is COc1ccc(-c2cnc3c(c2)C(C2=CC(C)N(C(=O)NC4CCCC4)CC2)=CC3)cc1OC.
What is the InChIKey of N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is ZRWXFOPSAVDBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-18-14-20(12-13-31(18)28(32)30-22-6-4-5-7-22)23-9-10-25-24(23)15-21(17-29-25)19-8-11-26(33-2)27(16-19)34-3/h8-9,11,14-18,22H,4-7,10,12-13H2,1-3H3,(H,30,32).
What are the key properties of N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 162203525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).