N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride

C16H28Cl2N4O — CID 120827370

IUPACN-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1ccc(N2CCC(C)CC2)nc1.Cl.Cl
InChIInChI=1S/C16H26N4O.2ClH/c1-12-6-8-20(9-7-12)15-5-4-14(11-18-15)16(21)19-10-13(2)17-3;;/h4-5,11-13,17H,6-10H2,1-3H3,(H,19,21);2*1H
InChIKeyRRANEFFJWXXLRY-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.50
Rot. Bonds5

About N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride

N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 120827370) has the molecular formula C16H28Cl2N4O and a molecular weight of 363.33 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
PubChem CID120827370
Molecular FormulaC16H28Cl2N4O
Molecular Weight363.33 g/mol
Exact Mass362.16
IUPAC NameN-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1ccc(N2CCC(C)CC2)nc1.Cl.Cl
InChIInChI=1S/C16H26N4O.2ClH/c1-12-6-8-20(9-7-12)15-5-4-14(11-18-15)16(21)19-10-13(2)17-3;;/h4-5,11-13,17H,6-10H2,1-3H3,(H,19,21);2*1H
InChIKeyRRANEFFJWXXLRY-UHFFFAOYSA-N
XLogP2.50
TPSA57.26 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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-phenylethyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 119528228
N-[[1-(methylamino)cyclopropyl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 167828040
N-(2-amino-2-ethylbutyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119641202
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
N-[(1-hydroxycyclopentyl)methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 111332971
(2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid
CID 119360590
N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119996255
6-(4-methylpiperidin-1-yl)-N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyridine-3-carboxamide
CID 146150272
N-(4-acetamidophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152569
N-[[1-[2-(methylamino)-2-oxoethyl]cyclohexyl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 146136407
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120827441
N-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119569884

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride (CID 120827370) is N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride is CNC(C)CNC(=O)c1ccc(N2CCC(C)CC2)nc1.Cl.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is RRANEFFJWXXLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.2ClH/c1-12-6-8-20(9-7-12)15-5-4-14(11-18-15)16(21)19-10-13(2)17-3;;/h4-5,11-13,17H,6-10H2,1-3H3,(H,19,21);2*1H.
What are the key properties of N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride?
N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 363.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120827370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).