N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide

C9H14N4O — CID 114326296

IUPACN-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
SMILESNCCNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C9H14N4O/c10-2-4-13-9(14)7-1-3-12-8(5-7)6-11/h1,3,5H,2,4,6,10-11H2,(H,13,14)
InChIKeyODHWKISMZKRQEZ-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.77
Rot. Bonds4

About N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide

N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide (PubChem CID 114326296) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
PubChem CID114326296
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
SMILESNCCNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C9H14N4O/c10-2-4-13-9(14)7-1-3-12-8(5-7)6-11/h1,3,5H,2,4,6,10-11H2,(H,13,14)
InChIKeyODHWKISMZKRQEZ-UHFFFAOYSA-N
XLogP-0.77
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 114325900
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529343
2-(aminomethyl)-N-pent-4-ynylpyridine-4-carboxamide
CID 104860710
2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
CID 104844461
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 114326285
2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 112530316
2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
CID 114325905
2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide
CID 114326677
2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 104844460
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 114326448
2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 114326261

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide (CID 114326296) is N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide is NCCNC(=O)c1ccnc(CN)c1.
What is the InChIKey of N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide?
The InChIKey is ODHWKISMZKRQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-2-4-13-9(14)7-1-3-12-8(5-7)6-11/h1,3,5H,2,4,6,10-11H2,(H,13,14).
What are the key properties of N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide?
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide has a molecular weight of 194.24 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114326296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).