2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide

C15H24N4O — CID 114326261

IUPAC2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
SMILESCC1CCN(CCNC(=O)c2ccnc(CN)c2)CC1
InChIInChI=1S/C15H24N4O/c1-12-3-7-19(8-4-12)9-6-18-15(20)13-2-5-17-14(10-13)11-16/h2,5,10,12H,3-4,6-9,11,16H2,1H3,(H,18,20)
InChIKeyYQWZIKMNHCQDMC-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.00
Rot. Bonds5

About 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide (PubChem CID 114326261) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
PubChem CID114326261
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
SMILESCC1CCN(CCNC(=O)c2ccnc(CN)c2)CC1
InChIInChI=1S/C15H24N4O/c1-12-3-7-19(8-4-12)9-6-18-15(20)13-2-5-17-14(10-13)11-16/h2,5,10,12H,3-4,6-9,11,16H2,1H3,(H,18,20)
InChIKeyYQWZIKMNHCQDMC-UHFFFAOYSA-N
XLogP1.00
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
CID 114325905
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764080
2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 114325626
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
CID 104844461
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 114325900
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 114326285
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
CID 95281237
2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 113277733

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide (CID 114326261) is 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide is CC1CCN(CCNC(=O)c2ccnc(CN)c2)CC1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is YQWZIKMNHCQDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-3-7-19(8-4-12)9-6-18-15(20)13-2-5-17-14(10-13)11-16/h2,5,10,12H,3-4,6-9,11,16H2,1H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114326261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).