N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide

C23H27N3O — CID 18827474

IUPACN-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)NC1CCCCC1
InChIInChI=1S/C23H27N3O/c27-22(25-17-9-2-1-3-10-17)15-8-12-19-18-11-4-5-13-20(18)26-23(19)21-14-6-7-16-24-21/h4-7,11,13-14,16-17,26H,1-3,8-10,12,15H2,(H,25,27)
InChIKeyFGTMMNBXGPWAMO-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.00
Rot. Bonds6

About N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide

N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18827474) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18827474
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)NC1CCCCC1
InChIInChI=1S/C23H27N3O/c27-22(25-17-9-2-1-3-10-17)15-8-12-19-18-11-4-5-13-20(18)26-23(19)21-14-6-7-16-24-21/h4-7,11,13-14,16-17,26H,1-3,8-10,12,15H2,(H,25,27)
InChIKeyFGTMMNBXGPWAMO-UHFFFAOYSA-N
XLogP5.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18827474) is N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide is O=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is FGTMMNBXGPWAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c27-22(25-17-9-2-1-3-10-17)15-8-12-19-18-11-4-5-13-20(18)26-23(19)21-14-6-7-16-24-21/h4-7,11,13-14,16-17,26H,1-3,8-10,12,15H2,(H,25,27).
What are the key properties of N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 361.49 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18827474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).