N-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide

C19H17N3O2S — CID 1246980

IUPACN-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccncc3)c2C(N)=O)cc1C
InChIInChI=1S/C19H17N3O2S/c1-11-3-4-14(9-12(11)2)15-10-25-19(16(15)17(20)23)22-18(24)13-5-7-21-8-6-13/h3-10H,1-2H3,(H2,20,23)(H,22,24)
InChIKeyHEPAKYHYQWANIL-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.78
Rot. Bonds4

About N-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide

N-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide (PubChem CID 1246980) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide
PubChem CID1246980
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccncc3)c2C(N)=O)cc1C
InChIInChI=1S/C19H17N3O2S/c1-11-3-4-14(9-12(11)2)15-10-25-19(16(15)17(20)23)22-18(24)13-5-7-21-8-6-13/h3-10H,1-2H3,(H2,20,23)(H,22,24)
InChIKeyHEPAKYHYQWANIL-UHFFFAOYSA-N
XLogP3.78
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorobenzoyl)amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid
CID 25225963
methyl 2-[(3,4-dichlorobenzoyl)amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 2241844
methyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
CID 2241808
ethyl 2-acetamido-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 734061
propan-2-yl 4-(2,4-dimethylphenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 997609
ethyl 4-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 1038260
ethyl 4-(3,4-dimethylphenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 1009163
methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate
CID 2241755
ethyl 4-(3,4-dimethylphenyl)-2-(thiophene-2-carbonylcarbamothioylamino)thiophene-3-carboxylate
CID 19187843
2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide
CID 173101358
4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide
CID 18474185
4-(3-chlorophenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 71000646

Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide (CID 1246980) is N-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide is Cc1ccc(-c2csc(NC(=O)c3ccncc3)c2C(N)=O)cc1C.
What is the InChIKey of N-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide?
The InChIKey is HEPAKYHYQWANIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-11-3-4-14(9-12(11)2)15-10-25-19(16(15)17(20)23)22-18(24)13-5-7-21-8-6-13/h3-10H,1-2H3,(H2,20,23)(H,22,24).
What are the key properties of N-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide?
N-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 1246980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).