N-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide

C17H19N3OS — CID 165118663

IUPACN-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide
SMILESNCc1ccc(NC(=O)c2ccc(C3=CCNCC3)s2)cc1
InChIInChI=1S/C17H19N3OS/c18-11-12-1-3-14(4-2-12)20-17(21)16-6-5-15(22-16)13-7-9-19-10-8-13/h1-7,19H,8-11,18H2,(H,20,21)
InChIKeyUMWLKURWJYSFON-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.84
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide

N-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide (PubChem CID 165118663) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide
PubChem CID165118663
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide
SMILESNCc1ccc(NC(=O)c2ccc(C3=CCNCC3)s2)cc1
InChIInChI=1S/C17H19N3OS/c18-11-12-1-3-14(4-2-12)20-17(21)16-6-5-15(22-16)13-7-9-19-10-8-13/h1-7,19H,8-11,18H2,(H,20,21)
InChIKeyUMWLKURWJYSFON-UHFFFAOYSA-N
XLogP2.84
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-aminoethylsulfanyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 175769521
N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118625
N-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide
CID 69361738
N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118667
1-N-[4-(aminomethyl)phenyl]-4-N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]benzene-1,4-dicarboxamide
CID 166477004
N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide
CID 165118789
5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid
CID 150344942
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 18282772
2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid
CID 175843411
N,5-diphenylthiophene-2-carboxamide
CID 3746437
methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781537
5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 46518220

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide (CID 165118663) is N-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide is NCc1ccc(NC(=O)c2ccc(C3=CCNCC3)s2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide?
The InChIKey is UMWLKURWJYSFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c18-11-12-1-3-14(4-2-12)20-17(21)16-6-5-15(22-16)13-7-9-19-10-8-13/h1-7,19H,8-11,18H2,(H,20,21).
What are the key properties of N-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide?
N-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 165118663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).