5-chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide

C18H20ClN3O — CID 75404267

IUPAC5-chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O/c19-16-10-14(17(20)23)11-21-18(16)22-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-5,10-11,13,15H,6-9H2,(H2,20,23)(H,21,22)
InChIKeyLJIVLLFDJTTWRI-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.97
Rot. Bonds4

About 5-chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide

5-chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide (PubChem CID 75404267) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 5-chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide
PubChem CID75404267
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name5-chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O/c19-16-10-14(17(20)23)11-21-18(16)22-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-5,10-11,13,15H,6-9H2,(H2,20,23)(H,21,22)
InChIKeyLJIVLLFDJTTWRI-UHFFFAOYSA-N
XLogP3.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide (CID 75404267) is 5-chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide is NC(=O)c1cnc(NC2CCC(c3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide?
The InChIKey is LJIVLLFDJTTWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-16-10-14(17(20)23)11-21-18(16)22-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-5,10-11,13,15H,6-9H2,(H2,20,23)(H,21,22).
What are the key properties of 5-chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide?
5-chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 75404267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).