5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide

C16H15ClN6O — CID 56816116

IUPAC5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESN#Cc1ccnc(N2CCN(c3ncc(C(N)=O)cc3Cl)CC2)c1
InChIInChI=1S/C16H15ClN6O/c17-13-8-12(15(19)24)10-21-16(13)23-5-3-22(4-6-23)14-7-11(9-18)1-2-20-14/h1-2,7-8,10H,3-6H2,(H2,19,24)
InChIKeyBUIGPLDJJFGCMR-UHFFFAOYSA-N
MW342.79 g/mol
LogP1.43
Rot. Bonds3

About 5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide

5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 56816116) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is 5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID56816116
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESN#Cc1ccnc(N2CCN(c3ncc(C(N)=O)cc3Cl)CC2)c1
InChIInChI=1S/C16H15ClN6O/c17-13-8-12(15(19)24)10-21-16(13)23-5-3-22(4-6-23)14-7-11(9-18)1-2-20-14/h1-2,7-8,10H,3-6H2,(H2,19,24)
InChIKeyBUIGPLDJJFGCMR-UHFFFAOYSA-N
XLogP1.43
TPSA99.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide (CID 56816116) is 5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide is N#Cc1ccnc(N2CCN(c3ncc(C(N)=O)cc3Cl)CC2)c1.
What is the InChIKey of 5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is BUIGPLDJJFGCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c17-13-8-12(15(19)24)10-21-16(13)23-5-3-22(4-6-23)14-7-11(9-18)1-2-20-14/h1-2,7-8,10H,3-6H2,(H2,19,24).
What are the key properties of 5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 56816116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).