N-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide

C20H19N3O2S — CID 51328068

IUPACN-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCC(C)/N=c1\ccccn1C(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H19N3O2S/c1-14(2)21-18-10-3-4-11-23(18)20(25)15-7-5-8-16(13-15)22-19(24)17-9-6-12-26-17/h3-14H,1-2H3,(H,22,24)/b21-18+
InChIKeyJQJVBEKYIZEIGW-DYTRJAOYSA-N
MW365.46 g/mol
LogP3.80
Rot. Bonds4

About N-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide

N-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 51328068) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID51328068
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCC(C)/N=c1\ccccn1C(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H19N3O2S/c1-14(2)21-18-10-3-4-11-23(18)20(25)15-7-5-8-16(13-15)22-19(24)17-9-6-12-26-17/h3-14H,1-2H3,(H,22,24)/b21-18+
InChIKeyJQJVBEKYIZEIGW-DYTRJAOYSA-N
XLogP3.80
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
[(2S)-1-amino-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 8597716
N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 46532752
N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 78804920
N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119563326
N-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide
CID 39964667
N-[3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 33027717
N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 18161069
N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 112773074
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 7268815
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888808
N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46412624

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide (CID 51328068) is N-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide is CC(C)/N=c1\ccccn1C(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is JQJVBEKYIZEIGW-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14(2)21-18-10-3-4-11-23(18)20(25)15-7-5-8-16(13-15)22-19(24)17-9-6-12-26-17/h3-14H,1-2H3,(H,22,24)/b21-18+.
What are the key properties of N-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide?
N-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-propan-2-yliminopyridine-1-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 51328068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).