N-[4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide

C28H30ClN3O2S — CID 134263538

IUPACN-[4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1CCC(c2cc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)cs2)CC1)c1ccccn1
InChIInChI=1S/C28H30ClN3O2S/c29-24-16-20(28(34)32-14-4-1-5-15-32)9-12-23(24)21-17-26(35-18-21)19-7-10-22(11-8-19)31-27(33)25-6-2-3-13-30-25/h2-3,6,9,12-13,16-19,22H,1,4-5,7-8,10-11,14-15H2,(H,31,33)
InChIKeyJHVDSBMBGDEDSP-UHFFFAOYSA-N
MW508.09 g/mol
LogP6.55
Rot. Bonds5

About N-[4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide

N-[4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide (PubChem CID 134263538) has the molecular formula C28H30ClN3O2S and a molecular weight of 508.09 g/mol. Its IUPAC name is N-[4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide
PubChem CID134263538
Molecular FormulaC28H30ClN3O2S
Molecular Weight508.09 g/mol
Exact Mass507.17
IUPAC NameN-[4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1CCC(c2cc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)cs2)CC1)c1ccccn1
InChIInChI=1S/C28H30ClN3O2S/c29-24-16-20(28(34)32-14-4-1-5-15-32)9-12-23(24)21-17-26(35-18-21)19-7-10-22(11-8-19)31-27(33)25-6-2-3-13-30-25/h2-3,6,9,12-13,16-19,22H,1,4-5,7-8,10-11,14-15H2,(H,31,33)
InChIKeyJHVDSBMBGDEDSP-UHFFFAOYSA-N
XLogP6.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.09
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide (CID 134263538) is N-[4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide is O=C(NC1CCC(c2cc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)cs2)CC1)c1ccccn1.
What is the InChIKey of N-[4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide?
The InChIKey is JHVDSBMBGDEDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O2S/c29-24-16-20(28(34)32-14-4-1-5-15-32)9-12-23(24)21-17-26(35-18-21)19-7-10-22(11-8-19)31-27(33)25-6-2-3-13-30-25/h2-3,6,9,12-13,16-19,22H,1,4-5,7-8,10-11,14-15H2,(H,31,33).
What are the key properties of N-[4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide?
N-[4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide has a molecular weight of 508.09 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 134263538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).