5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide

C20H25N3O — CID 109182409

IUPAC5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(NC2CCCC2)cn1
InChIInChI=1S/C20H25N3O/c24-20(21-14-6-9-16-7-2-1-3-8-16)19-13-12-18(15-22-19)23-17-10-4-5-11-17/h1-3,7-8,12-13,15,17,23H,4-6,9-11,14H2,(H,21,24)
InChIKeyMLZOWVVXNNIKMU-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.80
Rot. Bonds7

About 5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide

5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 109182409) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID109182409
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(NC2CCCC2)cn1
InChIInChI=1S/C20H25N3O/c24-20(21-14-6-9-16-7-2-1-3-8-16)19-13-12-18(15-22-19)23-17-10-4-5-11-17/h1-3,7-8,12-13,15,17,23H,4-6,9-11,14H2,(H,21,24)
InChIKeyMLZOWVVXNNIKMU-UHFFFAOYSA-N
XLogP3.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182393
5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194849
5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109183067
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
5-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071
5-(cyclohexylamino)-N-phenylpyridine-2-carboxamide
CID 109183141
5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 81316646
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185339
N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183086
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
5-(cyclopentylamino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180232

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 109182409) is 5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide is O=C(NCCCc1ccccc1)c1ccc(NC2CCCC2)cn1.
What is the InChIKey of 5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is MLZOWVVXNNIKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(21-14-6-9-16-7-2-1-3-8-16)19-13-12-18(15-22-19)23-17-10-4-5-11-17/h1-3,7-8,12-13,15,17,23H,4-6,9-11,14H2,(H,21,24).
What are the key properties of 5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109182409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).