N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide

C14H23N3O2 — CID 105071302

IUPACN-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(C)CCC(C)O
InChIInChI=1S/C14H23N3O2/c1-4-7-16-13-10-15-8-5-12(13)14(19)17(3)9-6-11(2)18/h5,8,10-11,16,18H,4,6-7,9H2,1-3H3
InChIKeyKBELQBBTCFZLKO-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.75
Rot. Bonds7

About N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide

N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105071302) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
PubChem CID105071302
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(C)CCC(C)O
InChIInChI=1S/C14H23N3O2/c1-4-7-16-13-10-15-8-5-12(13)14(19)17(3)9-6-11(2)18/h5,8,10-11,16,18H,4,6-7,9H2,1-3H3
InChIKeyKBELQBBTCFZLKO-UHFFFAOYSA-N
XLogP1.75
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068056
N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 107201068
N-(3-methoxypropyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105069961
N-(cyclopropylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068880
3-(ethylamino)-N-methyl-N-propylpyridine-4-carboxamide
CID 105068562
N-(cyclopentylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070142
N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide
CID 105068541
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-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071339
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937503

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide (CID 105071302) is N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)N(C)CCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is KBELQBBTCFZLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-7-16-13-10-15-8-5-12(13)14(19)17(3)9-6-11(2)18/h5,8,10-11,16,18H,4,6-7,9H2,1-3H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide?
N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105071302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).