N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide

C21H23N3O2 — CID 75403194

IUPACN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCc2ccnc(OC3CCCC3)c2)c2ccccc21
InChIInChI=1S/C21H23N3O2/c1-24-14-18(17-8-4-5-9-19(17)24)21(25)23-13-15-10-11-22-20(12-15)26-16-6-2-3-7-16/h4-5,8-12,14,16H,2-3,6-7,13H2,1H3,(H,23,25)
InChIKeySZTYXRJDHVHJEC-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.82
Rot. Bonds5

About N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide (PubChem CID 75403194) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide
PubChem CID75403194
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCc2ccnc(OC3CCCC3)c2)c2ccccc21
InChIInChI=1S/C21H23N3O2/c1-24-14-18(17-8-4-5-9-19(17)24)21(25)23-13-15-10-11-22-20(12-15)26-16-6-2-3-7-16/h4-5,8-12,14,16H,2-3,6-7,13H2,1H3,(H,23,25)
InChIKeySZTYXRJDHVHJEC-UHFFFAOYSA-N
XLogP3.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methoxybenzamide
CID 86981497
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]pyrazine-2-carboxamide
CID 53499351
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55841812
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-(methylamino)acetamide
CID 120704184
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690264
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide
CID 60612889
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52831460
N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86981506
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55659133
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]thiophene-3-carboxamide
CID 86981483
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1H-indole-6-carboxamide
CID 71896039
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-phenoxypropanamide
CID 86981489

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide (CID 75403194) is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide is Cn1cc(C(=O)NCc2ccnc(OC3CCCC3)c2)c2ccccc21.
What is the InChIKey of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide?
The InChIKey is SZTYXRJDHVHJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-24-14-18(17-8-4-5-9-19(17)24)21(25)23-13-15-10-11-22-20(12-15)26-16-6-2-3-7-16/h4-5,8-12,14,16H,2-3,6-7,13H2,1H3,(H,23,25).
What are the key properties of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide?
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 75403194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).