5-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide

C26H33ClN4O2 — CID 72704044

IUPAC5-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide
SMILESCC(c1cccc(NC(=O)c2ccc(Cl)cn2)c1)N1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C26H33ClN4O2/c1-18(31-14-12-19(13-15-31)25(32)29-22-7-3-2-4-8-22)20-6-5-9-23(16-20)30-26(33)24-11-10-21(27)17-28-24/h5-6,9-11,16-19,22H,2-4,7-8,12-15H2,1H3,(H,29,32)(H,30,33)
InChIKeyKDBDTRCSFQYMGE-UHFFFAOYSA-N
MW469.03 g/mol
LogP5.21
Rot. Bonds6

About 5-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide

5-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide (PubChem CID 72704044) has the molecular formula C26H33ClN4O2 and a molecular weight of 469.03 g/mol. Its IUPAC name is 5-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide
PubChem CID72704044
Molecular FormulaC26H33ClN4O2
Molecular Weight469.03 g/mol
Exact Mass468.23
IUPAC Name5-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide
SMILESCC(c1cccc(NC(=O)c2ccc(Cl)cn2)c1)N1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C26H33ClN4O2/c1-18(31-14-12-19(13-15-31)25(32)29-22-7-3-2-4-8-22)20-6-5-9-23(16-20)30-26(33)24-11-10-21(27)17-28-24/h5-6,9-11,16-19,22H,2-4,7-8,12-15H2,1H3,(H,29,32)(H,30,33)
InChIKeyKDBDTRCSFQYMGE-UHFFFAOYSA-N
XLogP5.21
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.03
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide (CID 72704044) is 5-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide is CC(c1cccc(NC(=O)c2ccc(Cl)cn2)c1)N1CCC(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 5-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide?
The InChIKey is KDBDTRCSFQYMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4O2/c1-18(31-14-12-19(13-15-31)25(32)29-22-7-3-2-4-8-22)20-6-5-9-23(16-20)30-26(33)24-11-10-21(27)17-28-24/h5-6,9-11,16-19,22H,2-4,7-8,12-15H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 5-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide?
5-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide has a molecular weight of 469.03 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 72704044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).