N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride

C16H28Cl2N4O — CID 119996255

IUPACN-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCC(CN)CNC(=O)c1ccc(N2CCCCCC2)nc1.Cl.Cl
InChIInChI=1S/C16H26N4O.2ClH/c1-13(10-17)11-19-16(21)14-6-7-15(18-12-14)20-8-4-2-3-5-9-20;;/h6-7,12-13H,2-5,8-11,17H2,1H3,(H,19,21);2*1H
InChIKeyHRVICDRULGRWPN-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.63
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride

N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119996255) has the molecular formula C16H28Cl2N4O and a molecular weight of 363.33 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119996255
Molecular FormulaC16H28Cl2N4O
Molecular Weight363.33 g/mol
Exact Mass362.16
IUPAC NameN-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCC(CN)CNC(=O)c1ccc(N2CCCCCC2)nc1.Cl.Cl
InChIInChI=1S/C16H26N4O.2ClH/c1-13(10-17)11-19-16(21)14-6-7-15(18-12-14)20-8-4-2-3-5-9-20;;/h6-7,12-13H,2-5,8-11,17H2,1H3,(H,19,21);2*1H
InChIKeyHRVICDRULGRWPN-UHFFFAOYSA-N
XLogP2.63
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447123
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
6-(azepan-1-yl)-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460670
6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 111480160
N-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119589638
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
N-(3-amino-2-methylpropyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119996612
N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 120827370
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride (CID 119996255) is N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride is CC(CN)CNC(=O)c1ccc(N2CCCCCC2)nc1.Cl.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is HRVICDRULGRWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.2ClH/c1-13(10-17)11-19-16(21)14-6-7-15(18-12-14)20-8-4-2-3-5-9-20;;/h6-7,12-13H,2-5,8-11,17H2,1H3,(H,19,21);2*1H.
What are the key properties of N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride?
N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 363.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119996255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).