N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide

C18H15N3O2S — CID 123882296

IUPACN-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2ccc(-c3ccncc3)s2)c1
InChIInChI=1S/C18H15N3O2S/c19-17(22)14-3-1-2-12(10-14)11-21-18(23)16-5-4-15(24-16)13-6-8-20-9-7-13/h1-10H,11H2,(H2,19,22)(H,21,23)
InChIKeyDWIWHDAPAHQISF-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.84
Rot. Bonds5

About N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide

N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 123882296) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
PubChem CID123882296
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2ccc(-c3ccncc3)s2)c1
InChIInChI=1S/C18H15N3O2S/c19-17(22)14-3-1-2-12(10-14)11-21-18(23)16-5-4-15(24-16)13-6-8-20-9-7-13/h1-10H,11H2,(H2,19,22)(H,21,23)
InChIKeyDWIWHDAPAHQISF-UHFFFAOYSA-N
XLogP2.84
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 52680419
N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11610434
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11536859
N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 123475335
4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide
CID 32636145
5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55724024
N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 32636581
N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11616767
N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904354
N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049431
3-[(carbamoylamino)methyl]benzamide
CID 166184789
N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 62311231

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide (CID 123882296) is N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide is NC(=O)c1cccc(CNC(=O)c2ccc(-c3ccncc3)s2)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is DWIWHDAPAHQISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c19-17(22)14-3-1-2-12(10-14)11-21-18(23)16-5-4-15(24-16)13-6-8-20-9-7-13/h1-10H,11H2,(H2,19,22)(H,21,23).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide?
N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 123882296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).