5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide

C24H19ClN6O2S — CID 143723164

IUPAC5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1=CN(c2ccc(-n3ccccc3=O)cc2-c2ccncc2)NN1)c1ccc(Cl)s1
InChIInChI=1S/C24H19ClN6O2S/c25-22-7-6-21(34-22)24(33)27-14-17-15-31(29-28-17)20-5-4-18(30-12-2-1-3-23(30)32)13-19(20)16-8-10-26-11-9-16/h1-13,15,28-29H,14H2,(H,27,33)
InChIKeyXOVBPFQORLXDQV-UHFFFAOYSA-N
MW490.98 g/mol
LogP3.71
Rot. Bonds6

About 5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 143723164) has the molecular formula C24H19ClN6O2S and a molecular weight of 490.98 g/mol. Its IUPAC name is 5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide
PubChem CID143723164
Molecular FormulaC24H19ClN6O2S
Molecular Weight490.98 g/mol
Exact Mass490.10
IUPAC Name5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1=CN(c2ccc(-n3ccccc3=O)cc2-c2ccncc2)NN1)c1ccc(Cl)s1
InChIInChI=1S/C24H19ClN6O2S/c25-22-7-6-21(34-22)24(33)27-14-17-15-31(29-28-17)20-5-4-18(30-12-2-1-3-23(30)32)13-19(20)16-8-10-26-11-9-16/h1-13,15,28-29H,14H2,(H,27,33)
InChIKeyXOVBPFQORLXDQV-UHFFFAOYSA-N
XLogP3.71
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.98
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-[[3-[2-(2-fluoro-4-pyridinyl)-4-(2-oxo-1-pyridinyl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide
CID 143723034
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 24760753
5-chloro-N-[[3-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide
CID 143722878
N-[[1-[2-(aminomethyl)-4-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 59849061
N-[[1-[2-carbamoyl-4-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 59849086
5-chloro-N-[[1-[2-(methylcarbamoyl)-4-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]thiophene-2-carboxamide
CID 24997758
5-chloro-N-[[3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide
CID 143722902
N-[[3-[4-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)phenyl]-1,2-dihydrotriazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 143722952
N-[[1-[2-acetamido-4-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 24999600
1-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]piperidine-4-carboxylic acid
CID 59849056
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide;methane
CID 159457229
5-chloro-N-[[1-[3-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]thiophene-2-carboxamide
CID 59260077

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide (CID 143723164) is 5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide is O=C(NCC1=CN(c2ccc(-n3ccccc3=O)cc2-c2ccncc2)NN1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is XOVBPFQORLXDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O2S/c25-22-7-6-21(34-22)24(33)27-14-17-15-31(29-28-17)20-5-4-18(30-12-2-1-3-23(30)32)13-19(20)16-8-10-26-11-9-16/h1-13,15,28-29H,14H2,(H,27,33).
What are the key properties of 5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 490.98 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-[4-(2-oxo-1-pyridinyl)-2-pyridin-4-ylphenyl]-1,2-dihydrotriazol-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 143723164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).