N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide

C14H23N3O — CID 81235324

IUPACN-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cnc(C)cc1NCCC
InChIInChI=1S/C14H23N3O/c1-4-6-8-16-14(18)12-10-17-11(3)9-13(12)15-7-5-2/h9-10H,4-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyXUDQZBGMPVHZGX-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.74
Rot. Bonds7

About N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide

N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81235324) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
PubChem CID81235324
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cnc(C)cc1NCCC
InChIInChI=1S/C14H23N3O/c1-4-6-8-16-14(18)12-10-17-11(3)9-13(12)15-7-5-2/h9-10H,4-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyXUDQZBGMPVHZGX-UHFFFAOYSA-N
XLogP2.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.74
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

4-(ethylamino)-6-methyl-N-propylpyridine-3-carboxamide
CID 81236373
N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243302
6-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237526
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243009
4-hydrazinyl-6-methyl-N-pentylpyridine-3-carboxamide
CID 81255877
6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238236
6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 81233813
6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237936
6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 81244929
6-methyl-4-(propylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 81238896
6-methyl-4-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 81233882
4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115327297

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide (CID 81235324) is N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide is CCCCNC(=O)c1cnc(C)cc1NCCC.
What is the InChIKey of N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is XUDQZBGMPVHZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-6-8-16-14(18)12-10-17-11(3)9-13(12)15-7-5-2/h9-10H,4-8H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide?
N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81235324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).