N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide

C19H17N3O2S — CID 55904354

IUPACN-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)s1
InChIInChI=1S/C19H17N3O2S/c1-13-5-6-17(25-13)19(24)21-12-14-3-2-4-16(11-14)22-18(23)15-7-9-20-10-8-15/h2-11H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyFALQYZFZELNINJ-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.63
Rot. Bonds5

About N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 55904354) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID55904354
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)s1
InChIInChI=1S/C19H17N3O2S/c1-13-5-6-17(25-13)19(24)21-12-14-3-2-4-16(11-14)22-18(23)15-7-9-20-10-8-15/h2-11H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyFALQYZFZELNINJ-UHFFFAOYSA-N
XLogP3.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 47292096
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 62311231
N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926382
N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903083
N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064649
N-[3-[[(3-hydroxynaphthalene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903332
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064652
N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide
CID 113397928
N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 120564934
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide (CID 55904354) is N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide is Cc1ccc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)s1.
What is the InChIKey of N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is FALQYZFZELNINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13-5-6-17(25-13)19(24)21-12-14-3-2-4-16(11-14)22-18(23)15-7-9-20-10-8-15/h2-11H,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55904354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).