4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide

C12H18N4O — CID 81236133

IUPAC4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnccc2N)CC1
InChIInChI=1S/C12H18N4O/c1-16-6-3-9(4-7-16)15-12(17)10-8-14-5-2-11(10)13/h2,5,8-9H,3-4,6-7H2,1H3,(H2,13,14)(H,15,17)
InChIKeyNMEKXDXPVSRILQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.49
Rot. Bonds2

About 4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide

4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 81236133) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID81236133
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnccc2N)CC1
InChIInChI=1S/C12H18N4O/c1-16-6-3-9(4-7-16)15-12(17)10-8-14-5-2-11(10)13/h2,5,8-9H,3-4,6-7H2,1H3,(H2,13,14)(H,15,17)
InChIKeyNMEKXDXPVSRILQ-UHFFFAOYSA-N
XLogP0.49
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243197
4-amino-N-cycloheptylpyridine-3-carboxamide
CID 81236590
4-amino-N-(oxan-4-yl)pyridine-3-carboxamide
CID 81242575
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 115115642
4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 81239986
4-amino-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 105056170
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
4-amino-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82737450
5-amino-2-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 54917300
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 81245479
N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110466807

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide (CID 81236133) is 4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide is CN1CCC(NC(=O)c2cnccc2N)CC1.
What is the InChIKey of 4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is NMEKXDXPVSRILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16-6-3-9(4-7-16)15-12(17)10-8-14-5-2-11(10)13/h2,5,8-9H,3-4,6-7H2,1H3,(H2,13,14)(H,15,17).
What are the key properties of 4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 81236133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).