6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide

C13H19N5O2 — CID 168923375

IUPAC6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(C(=O)N2CCN(CN)CC2)nc1
InChIInChI=1S/C13H19N5O2/c1-15-12(19)10-2-3-11(16-8-10)13(20)18-6-4-17(9-14)5-7-18/h2-3,8H,4-7,9,14H2,1H3,(H,15,19)
InChIKeyUWZYZMDGCJVPJL-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.88
Rot. Bonds3

About 6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide

6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide (PubChem CID 168923375) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide
PubChem CID168923375
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(C(=O)N2CCN(CN)CC2)nc1
InChIInChI=1S/C13H19N5O2/c1-15-12(19)10-2-3-11(16-8-10)13(20)18-6-4-17(9-14)5-7-18/h2-3,8H,4-7,9,14H2,1H3,(H,15,19)
InChIKeyUWZYZMDGCJVPJL-UHFFFAOYSA-N
XLogP-0.88
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide (CID 168923375) is 6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(C(=O)N2CCN(CN)CC2)nc1.
What is the InChIKey of 6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide?
The InChIKey is UWZYZMDGCJVPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-15-12(19)10-2-3-11(16-8-10)13(20)18-6-4-17(9-14)5-7-18/h2-3,8H,4-7,9,14H2,1H3,(H,15,19).
What are the key properties of 6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide?
6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide has a molecular weight of 277.33 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 168923375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).