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

C18H18ClN3O2S — CID 155382799

IUPACN-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(Cl)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C18H18ClN3O2S/c1-25-17-13(5-4-8-20-17)16(23)21-12-6-7-15(19)14(11-12)18(24)22-9-2-3-10-22/h4-8,11H,2-3,9-10H2,1H3,(H,21,23)
InChIKeyMYFVYCVOJZRSQF-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.95
Rot. Bonds4

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

N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 155382799) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID155382799
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC NameN-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(Cl)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C18H18ClN3O2S/c1-25-17-13(5-4-8-20-17)16(23)21-12-6-7-15(19)14(11-12)18(24)22-9-2-3-10-22/h4-8,11H,2-3,9-10H2,1H3,(H,21,23)
InChIKeyMYFVYCVOJZRSQF-UHFFFAOYSA-N
XLogP3.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 155382960
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
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
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1063788
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
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 65346541
2-methylsulfanyl-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 926631

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide (CID 155382799) is N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccc(Cl)c(C(=O)N2CCCC2)c1.
What is the InChIKey of N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is MYFVYCVOJZRSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-25-17-13(5-4-8-20-17)16(23)21-12-6-7-15(19)14(11-12)18(24)22-9-2-3-10-22/h4-8,11H,2-3,9-10H2,1H3,(H,21,23).
What are the key properties of N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 3.95, 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-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 155382799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).