N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide

C15H25N3O2 — CID 107201068

IUPACN-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(C)CCCCCO
InChIInChI=1S/C15H25N3O2/c1-3-8-17-14-12-16-9-7-13(14)15(20)18(2)10-5-4-6-11-19/h7,9,12,17,19H,3-6,8,10-11H2,1-2H3
InChIKeyDXNGPRXKIJUIDS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.14
Rot. Bonds9

About N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide

N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide (PubChem CID 107201068) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
PubChem CID107201068
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(C)CCCCCO
InChIInChI=1S/C15H25N3O2/c1-3-8-17-14-12-16-9-7-13(14)15(20)18(2)10-5-4-6-11-19/h7,9,12,17,19H,3-6,8,10-11H2,1-2H3
InChIKeyDXNGPRXKIJUIDS-UHFFFAOYSA-N
XLogP2.14
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105069961
3-(ethylamino)-N-methyl-N-propylpyridine-4-carboxamide
CID 105068562
N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068056
N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071302
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-(cyclopropylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068880
N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937266
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070360
N-(cyclopentylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070142
N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 107486117
N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071339
N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937503

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide (CID 107201068) is N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)N(C)CCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is DXNGPRXKIJUIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-8-17-14-12-16-9-7-13(14)15(20)18(2)10-5-4-6-11-19/h7,9,12,17,19H,3-6,8,10-11H2,1-2H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide?
N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 107201068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).