N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide

C22H19N3O2S — CID 38326707

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C22H19N3O2S/c26-20(15-11-12-15)24-16-6-4-7-17(14-16)25-21(27)19-10-5-13-23-22(19)28-18-8-2-1-3-9-18/h1-10,13-15H,11-12H2,(H,24,26)(H,25,27)
InChIKeyCPLDNZRXUYEOIJ-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.83
Rot. Bonds6

About N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide

N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 38326707) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID38326707
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C22H19N3O2S/c26-20(15-11-12-15)24-16-6-4-7-17(14-16)25-21(27)19-10-5-13-23-22(19)28-18-8-2-1-3-9-18/h1-10,13-15H,11-12H2,(H,24,26)(H,25,27)
InChIKeyCPLDNZRXUYEOIJ-UHFFFAOYSA-N
XLogP4.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 39677967
N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26086401
2-phenylsulfanyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]pyridine-3-carboxamide
CID 55343575
N-[3-(cyclopropanecarbonylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 46546109
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
CID 39991684
2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55532652
N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 2558813
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 24655217
N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26115014
2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 55342888
N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 55812829
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 43019366

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide (CID 38326707) is N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide is O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is CPLDNZRXUYEOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-20(15-11-12-15)24-16-6-4-7-17(14-16)25-21(27)19-10-5-13-23-22(19)28-18-8-2-1-3-9-18/h1-10,13-15H,11-12H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide?
N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 38326707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).