N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide

C19H20ClN3O2S — CID 155382960

IUPACN-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(Cl)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C19H20ClN3O2S/c1-26-18-14(6-5-9-21-18)17(24)22-13-7-8-16(20)15(12-13)19(25)23-10-3-2-4-11-23/h5-9,12H,2-4,10-11H2,1H3,(H,22,24)
InChIKeyAISYDLFZWRHFKJ-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.34
Rot. Bonds4

About N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide

N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 155382960) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID155382960
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC NameN-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(Cl)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C19H20ClN3O2S/c1-26-18-14(6-5-9-21-18)17(24)22-13-7-8-16(20)15(12-13)19(25)23-10-3-2-4-11-23/h5-9,12H,2-4,10-11H2,1H3,(H,22,24)
InChIKeyAISYDLFZWRHFKJ-UHFFFAOYSA-N
XLogP4.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 155382799
2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide
CID 155647773
2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43171833
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1063788
N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926519
2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55532652
N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 46550282
N-[3-chloro-4-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 22099691
5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63154428
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919070
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 65346541

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide (CID 155382960) is N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccc(Cl)c(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is AISYDLFZWRHFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-26-18-14(6-5-9-21-18)17(24)22-13-7-8-16(20)15(12-13)19(25)23-10-3-2-4-11-23/h5-9,12H,2-4,10-11H2,1H3,(H,22,24).
What are the key properties of N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 389.91 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 155382960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).