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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Related Compounds

[5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 63722502
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
aziridin-1-yl-(5-methyl-2-pyridinyl)methanone
CID 126996011
[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641069
2-[4-(5-aminopyridine-2-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 81311913
5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 86858542
5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005050
methyl 6-[4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate
CID 3793031
5-[2,2-bis(hydroxymethyl)azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide
CID 167937775
[5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 104641158
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185

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).