N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide

C12H20N4O — CID 119497031

IUPACN-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide
SMILESCC(N)CCNC(=O)c1ccc(N(C)C)nc1
InChIInChI=1S/C12H20N4O/c1-9(13)6-7-14-12(17)10-4-5-11(15-8-10)16(2)3/h4-5,8-9H,6-7,13H2,1-3H3,(H,14,17)
InChIKeyUHYHIRAKCNXAQI-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.61
Rot. Bonds5

About N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide

N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide (PubChem CID 119497031) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide
PubChem CID119497031
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide
SMILESCC(N)CCNC(=O)c1ccc(N(C)C)nc1
InChIInChI=1S/C12H20N4O/c1-9(13)6-7-14-12(17)10-4-5-11(15-8-10)16(2)3/h4-5,8-9H,6-7,13H2,1-3H3,(H,14,17)
InChIKeyUHYHIRAKCNXAQI-UHFFFAOYSA-N
XLogP0.61
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119996612
N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 57037529
6-(dimethylamino)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120828209
6-(dimethylamino)-N-(2-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103771018
2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 65219660
6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide
CID 55023997
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid
CID 79456816
6-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79031520
N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 119620220
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109157548

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide (CID 119497031) is N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide is CC(N)CCNC(=O)c1ccc(N(C)C)nc1.
What is the InChIKey of N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is UHYHIRAKCNXAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(13)6-7-14-12(17)10-4-5-11(15-8-10)16(2)3/h4-5,8-9H,6-7,13H2,1-3H3,(H,14,17).
What are the key properties of N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide?
N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 119497031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).