N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide

C17H29N3O — CID 104640604

IUPACN-octan-2-yl-5-(propylamino)pyridine-2-carboxamide
SMILESCCCCCCC(C)NC(=O)c1ccc(NCCC)cn1
InChIInChI=1S/C17H29N3O/c1-4-6-7-8-9-14(3)20-17(21)16-11-10-15(13-19-16)18-12-5-2/h10-11,13-14,18H,4-9,12H2,1-3H3,(H,20,21)
InChIKeyOCBHELKADPKWLU-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.99
Rot. Bonds10

About N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide

N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide (PubChem CID 104640604) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-octan-2-yl-5-(propylamino)pyridine-2-carboxamide
PubChem CID104640604
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-octan-2-yl-5-(propylamino)pyridine-2-carboxamide
SMILESCCCCCCC(C)NC(=O)c1ccc(NCCC)cn1
InChIInChI=1S/C17H29N3O/c1-4-6-7-8-9-14(3)20-17(21)16-11-10-15(13-19-16)18-12-5-2/h10-11,13-14,18H,4-9,12H2,1-3H3,(H,20,21)
InChIKeyOCBHELKADPKWLU-UHFFFAOYSA-N
XLogP3.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.99
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-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
5-(ethylamino)-N-hexan-2-ylpyridine-2-carboxamide
CID 113436154
N-(4-methoxybutan-2-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641554
N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide
CID 109180814
N-octan-2-yl-4-(propylamino)benzamide
CID 63500795
5-bromo-N-heptan-2-ylpyridine-2-carboxamide
CID 55153825
5-carbamothioyl-N-heptan-2-ylpyridine-2-carboxamide
CID 63750456
5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109180889
N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide
CID 104765582
5-(2-methylpropylamino)-N-pentylpyridine-2-carboxamide
CID 109181275
N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830
N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179407

Frequently Asked Questions

What is the IUPAC name of N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide (CID 104640604) is N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide is CCCCCCC(C)NC(=O)c1ccc(NCCC)cn1.
What is the InChIKey of N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide?
The InChIKey is OCBHELKADPKWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-6-7-8-9-14(3)20-17(21)16-11-10-15(13-19-16)18-12-5-2/h10-11,13-14,18H,4-9,12H2,1-3H3,(H,20,21).
What are the key properties of N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide?
N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104640604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).