N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide

C18H19N3O — CID 59034901

IUPACN-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide
SMILESCc1ccc2c(ccn2CCCNC(=O)c2cccnc2)c1
InChIInChI=1S/C18H19N3O/c1-14-5-6-17-15(12-14)7-11-21(17)10-3-9-20-18(22)16-4-2-8-19-13-16/h2,4-8,11-13H,3,9-10H2,1H3,(H,20,22)
InChIKeyAGKRLBVHTYDHOP-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.16
Rot. Bonds5

About N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide

N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 59034901) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide
PubChem CID59034901
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide
SMILESCc1ccc2c(ccn2CCCNC(=O)c2cccnc2)c1
InChIInChI=1S/C18H19N3O/c1-14-5-6-17-15(12-14)7-11-21(17)10-3-9-20-18(22)16-4-2-8-19-13-16/h2,4-8,11-13H,3,9-10H2,1H3,(H,20,22)
InChIKeyAGKRLBVHTYDHOP-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
CID 90500651
N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide
CID 51165309
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556279
5-methyl-1-(pyridin-3-ylmethyl)indole
CID 116622934
N-octadecylpyridine-3-carboxamide
CID 3547337
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 35284531
3-(5-methylindol-1-yl)-1-phenylpropan-1-one
CID 116691935
6-(dimethylamino)-N-(3-indol-1-ylpropyl)pyridine-3-carboxamide
CID 71942372

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide (CID 59034901) is N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide is Cc1ccc2c(ccn2CCCNC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is AGKRLBVHTYDHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14-5-6-17-15(12-14)7-11-21(17)10-3-9-20-18(22)16-4-2-8-19-13-16/h2,4-8,11-13H,3,9-10H2,1H3,(H,20,22).
What are the key properties of N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide?
N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 59034901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).