N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide

C17H14ClN3OS — CID 113027177

IUPACN-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NCc2ccccc2Cl)cn1)c1cccs1
InChIInChI=1S/C17H14ClN3OS/c18-14-5-2-1-4-12(14)10-19-13-7-8-16(20-11-13)21-17(22)15-6-3-9-23-15/h1-9,11,19H,10H2,(H,20,21,22)
InChIKeyZCVNWZLLKKQAIZ-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.66
Rot. Bonds5

About N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide

N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 113027177) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
PubChem CID113027177
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NCc2ccccc2Cl)cn1)c1cccs1
InChIInChI=1S/C17H14ClN3OS/c18-14-5-2-1-4-12(14)10-19-13-7-8-16(20-11-13)21-17(22)15-6-3-9-23-15/h1-9,11,19H,10H2,(H,20,21,22)
InChIKeyZCVNWZLLKKQAIZ-UHFFFAOYSA-N
XLogP4.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113026990
2-amino-N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]acetamide
CID 39178469
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113027169
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113026241
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113027751
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methylbutanamide
CID 113027171
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113027190
N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113029060
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113027186
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide
CID 1449346
N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 1449478
tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012243

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide (CID 113027177) is N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide is O=C(Nc1ccc(NCc2ccccc2Cl)cn1)c1cccs1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is ZCVNWZLLKKQAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c18-14-5-2-1-4-12(14)10-19-13-7-8-16(20-11-13)21-17(22)15-6-3-9-23-15/h1-9,11,19H,10H2,(H,20,21,22).
What are the key properties of N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide?
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113027177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).