3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide

C20H20ClN3O2 — CID 55968094

IUPAC3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(OC2CCCC2)nc1)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C20H20ClN3O2/c21-18-15-7-3-4-8-16(15)24-19(18)20(25)23-12-13-9-10-17(22-11-13)26-14-5-1-2-6-14/h3-4,7-11,14,24H,1-2,5-6,12H2,(H,23,25)
InChIKeyYWDROFVIMZXAGB-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.47
Rot. Bonds5

About 3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide

3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide (PubChem CID 55968094) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide
PubChem CID55968094
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(OC2CCCC2)nc1)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C20H20ClN3O2/c21-18-15-7-3-4-8-16(15)24-19(18)20(25)23-12-13-9-10-17(22-11-13)26-14-5-1-2-6-14/h3-4,7-11,14,24H,1-2,5-6,12H2,(H,23,25)
InChIKeyYWDROFVIMZXAGB-UHFFFAOYSA-N
XLogP4.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 78890683
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide
CID 60520618
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 87005293
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46190747
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55800624
3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 122030447
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55800689
1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 87005295
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 55967839
N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-8-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carboxamide
CID 167917235
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(furan-2-yl)pyrazolidine-3-carboxamide
CID 75265566

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide (CID 55968094) is 3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide is O=C(NCc1ccc(OC2CCCC2)nc1)c1[nH]c2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is YWDROFVIMZXAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-18-15-7-3-4-8-16(15)24-19(18)20(25)23-12-13-9-10-17(22-11-13)26-14-5-1-2-6-14/h3-4,7-11,14,24H,1-2,5-6,12H2,(H,23,25).
What are the key properties of 3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide?
3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55968094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).