6-chloro-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide

C18H18ClN5O — CID 58073334

IUPAC6-chloro-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)c3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C18H18ClN5O/c19-17-6-5-16(22-23-17)18(25)21-15-7-9-24(10-8-15)12-14-3-1-13(11-20)2-4-14/h1-6,15H,7-10,12H2,(H,21,25)
InChIKeyVSFKDPYWJXCOQC-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.40
Rot. Bonds4

About 6-chloro-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide

6-chloro-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide (PubChem CID 58073334) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 6-chloro-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide
PubChem CID58073334
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name6-chloro-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)c3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C18H18ClN5O/c19-17-6-5-16(22-23-17)18(25)21-15-7-9-24(10-8-15)12-14-3-1-13(11-20)2-4-14/h1-6,15H,7-10,12H2,(H,21,25)
InChIKeyVSFKDPYWJXCOQC-UHFFFAOYSA-N
XLogP2.40
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide (CID 58073334) is 6-chloro-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide is N#Cc1ccc(CN2CCC(NC(=O)c3ccc(Cl)nn3)CC2)cc1.
What is the InChIKey of 6-chloro-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide?
The InChIKey is VSFKDPYWJXCOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-17-6-5-16(22-23-17)18(25)21-15-7-9-24(10-8-15)12-14-3-1-13(11-20)2-4-14/h1-6,15H,7-10,12H2,(H,21,25).
What are the key properties of 6-chloro-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide?
6-chloro-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 58073334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).