N-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide

C19H16N4O2S — CID 4622644

IUPACN-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide
SMILESCC(=NNC(=O)c1ccccn1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H16N4O2S/c1-13(22-23-18(24)16-8-2-3-10-20-16)14-6-4-7-15(12-14)21-19(25)17-9-5-11-26-17/h2-12H,1H3,(H,21,25)(H,23,24)
InChIKeyYBHBQGQGGRJOQI-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.55
Rot. Bonds5

About N-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide

N-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide (PubChem CID 4622644) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide
PubChem CID4622644
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide
SMILESCC(=NNC(=O)c1ccccn1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H16N4O2S/c1-13(22-23-18(24)16-8-2-3-10-20-16)14-6-4-7-15(12-14)21-19(25)17-9-5-11-26-17/h2-12H,1H3,(H,21,25)(H,23,24)
InChIKeyYBHBQGQGGRJOQI-UHFFFAOYSA-N
XLogP3.55
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
CID 17349528
N-[3-[N-[(4-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4300167
N-[3-[N-[(4-tert-butylbenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 1000066
N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 6011924
N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5334715
N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27990641
N-[3-[(Z)-N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 6264160
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
CID 5158930
N-[4-[C-methyl-N-[(3,4,5-trihydroxybenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3654494
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]thiophene-2-carboxamide
CID 6149852

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide (CID 4622644) is N-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide is CC(=NNC(=O)c1ccccn1)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide?
The InChIKey is YBHBQGQGGRJOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-13(22-23-18(24)16-8-2-3-10-20-16)14-6-4-7-15(12-14)21-19(25)17-9-5-11-26-17/h2-12H,1H3,(H,21,25)(H,23,24).
What are the key properties of N-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide?
N-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 4622644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).