6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide

C15H17ClN6O — CID 56723039

IUPAC6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N2CCN(Cc3ccc(Cl)nc3)CC2)n1
InChIInChI=1S/C15H17ClN6O/c16-13-2-1-11(7-19-13)10-21-3-5-22(6-4-21)14-9-18-8-12(20-14)15(17)23/h1-2,7-9H,3-6,10H2,(H2,17,23)
InChIKeyMDFFJQVCWJTJBS-UHFFFAOYSA-N
MW332.80 g/mol
LogP0.95
Rot. Bonds4

About 6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide

6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide (PubChem CID 56723039) has the molecular formula C15H17ClN6O and a molecular weight of 332.80 g/mol. Its IUPAC name is 6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
PubChem CID56723039
Molecular FormulaC15H17ClN6O
Molecular Weight332.80 g/mol
Exact Mass332.12
IUPAC Name6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N2CCN(Cc3ccc(Cl)nc3)CC2)n1
InChIInChI=1S/C15H17ClN6O/c16-13-2-1-11(7-19-13)10-21-3-5-22(6-4-21)14-9-18-8-12(20-14)15(17)23/h1-2,7-9H,3-6,10H2,(H2,17,23)
InChIKeyMDFFJQVCWJTJBS-UHFFFAOYSA-N
XLogP0.95
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133358229
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133358244
2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide
CID 54949208
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 56702748
6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 173077858
1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63102065
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 26756608
6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 133335007
1-[(6-chloro-3-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 35150863
6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 71976874
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
6-(4-benzylpiperazin-1-yl)pyrazin-2-amine
CID 78988890

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide (CID 56723039) is 6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide is NC(=O)c1cncc(N2CCN(Cc3ccc(Cl)nc3)CC2)n1.
What is the InChIKey of 6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide?
The InChIKey is MDFFJQVCWJTJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6O/c16-13-2-1-11(7-19-13)10-21-3-5-22(6-4-21)14-9-18-8-12(20-14)15(17)23/h1-2,7-9H,3-6,10H2,(H2,17,23).
What are the key properties of 6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide?
6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide has a molecular weight of 332.80 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 56723039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).