3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide

C24H27N3O2 — CID 58745699

IUPAC3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide
SMILESCn1c(-c2ccccn2)c(C2CCCC2)c2ccc(C(=O)NC(C)(C)C=O)cc21
InChIInChI=1S/C24H27N3O2/c1-24(2,15-28)26-23(29)17-11-12-18-20(14-17)27(3)22(19-10-6-7-13-25-19)21(18)16-8-4-5-9-16/h6-7,10-16H,4-5,8-9H2,1-3H3,(H,26,29)
InChIKeyYXQCZNIPMPVGJK-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.61
Rot. Bonds5

About 3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide

3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide (PubChem CID 58745699) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide
PubChem CID58745699
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide
SMILESCn1c(-c2ccccn2)c(C2CCCC2)c2ccc(C(=O)NC(C)(C)C=O)cc21
InChIInChI=1S/C24H27N3O2/c1-24(2,15-28)26-23(29)17-11-12-18-20(14-17)27(3)22(19-10-6-7-13-25-19)21(18)16-8-4-5-9-16/h6-7,10-16H,4-5,8-9H2,1-3H3,(H,26,29)
InChIKeyYXQCZNIPMPVGJK-UHFFFAOYSA-N
XLogP4.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutanecarbonyl]amino]-2-(2-methoxyethoxy)phenyl]prop-2-enoic acid
CID 118720677
(Z)-3-[4-[[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutanecarbonyl]amino]-2-ethoxyphenyl]-2-fluoroprop-2-enoic acid
CID 11671765
3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid
CID 71501727
3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid
CID 71501908
(E)-3-[4-[[1-[(3-cyclopentyl-1-methyl-2-quinolin-6-ylindole-6-carbonyl)amino]cyclobutanecarbonyl]amino]phenyl]prop-2-enoic acid
CID 71462831
(E)-3-[4-[[2-[[3-cyclohexyl-1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)indole-6-carbonyl]amino]-2-methylpropanoyl]amino]phenyl]prop-2-enoic acid
CID 54585636
(E)-3-[4-[[1-[[3-cyclopentyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylindole-6-carbonyl]amino]cyclobutanecarbonyl]amino]phenyl]prop-2-enoic acid
CID 10462019
(E)-3-[6-[[2-[(3-cyclopentyl-1-methyl-2-pyrimidin-5-ylindole-6-carbonyl)amino]-2-methylpropanoyl]amino]-2-ethoxy-3-pyridinyl]prop-2-enoic acid
CID 118731190
(E)-3-[4-[[1-[[3-cyclopentyl-1-methyl-2-(6-methyl-2-pyridinyl)indole-6-carbonyl]amino]cyclobutanecarbonyl]amino]phenyl]-2-methylprop-2-enoic acid
CID 71455617
(E)-3-[4-[[1-[[3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid
CID 71462829
5-[[2-[[3-cyclopentyl-2-(5-methoxy-2-pyridinyl)-1-methylindole-6-carbonyl]amino]-2-methylpropanoyl]amino]-1-methylindole-2-carboxylic acid
CID 71455669
(E)-3-[5-[[2-[[3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]-2-methylpropanoyl]amino]-3-ethoxypyrazin-2-yl]prop-2-enoic acid
CID 118731195

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide?
The IUPAC name of 3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide (CID 58745699) is 3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide.
What is the SMILES notation for 3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide?
The canonical SMILES for 3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide is Cn1c(-c2ccccn2)c(C2CCCC2)c2ccc(C(=O)NC(C)(C)C=O)cc21.
What is the InChIKey of 3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide?
The InChIKey is YXQCZNIPMPVGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-24(2,15-28)26-23(29)17-11-12-18-20(14-17)27(3)22(19-10-6-7-13-25-19)21(18)16-8-4-5-9-16/h6-7,10-16H,4-5,8-9H2,1-3H3,(H,26,29).
What are the key properties of 3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide?
3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide is sourced from PubChem (CID 58745699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).