6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C21H16ClN5O — CID 4658115

IUPAC6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(-c2cnn(-c3ccc(Cl)cc3)c2)nc1
InChIInChI=1S/C21H16ClN5O/c22-18-2-4-19(5-3-18)27-14-17(13-26-27)20-6-1-16(12-24-20)21(28)25-11-15-7-9-23-10-8-15/h1-10,12-14H,11H2,(H,25,28)
InChIKeyIEHXLLREHZMVJG-UHFFFAOYSA-N
MW389.85 g/mol
LogP3.91
Rot. Bonds5

About 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 4658115) has the molecular formula C21H16ClN5O and a molecular weight of 389.85 g/mol. Its IUPAC name is 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID4658115
Molecular FormulaC21H16ClN5O
Molecular Weight389.85 g/mol
Exact Mass389.10
IUPAC Name6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(-c2cnn(-c3ccc(Cl)cc3)c2)nc1
InChIInChI=1S/C21H16ClN5O/c22-18-2-4-19(5-3-18)27-14-17(13-26-27)20-6-1-16(12-24-20)21(28)25-11-15-7-9-23-10-8-15/h1-10,12-14H,11H2,(H,25,28)
InChIKeyIEHXLLREHZMVJG-UHFFFAOYSA-N
XLogP3.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide
CID 4188027
6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 4109180
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
N-[(4-methylsulfonylphenyl)methyl]-4-(4-pyrimidin-4-ylpyrazol-1-yl)benzamide
CID 4085181
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 86968541
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
6-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 5065256
1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
CID 55841094
N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 71841602
6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 4268648
N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide
CID 155966958

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 4658115) is 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccncc1)c1ccc(-c2cnn(-c3ccc(Cl)cc3)c2)nc1.
What is the InChIKey of 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is IEHXLLREHZMVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O/c22-18-2-4-19(5-3-18)27-14-17(13-26-27)20-6-1-16(12-24-20)21(28)25-11-15-7-9-23-10-8-15/h1-10,12-14H,11H2,(H,25,28).
What are the key properties of 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 389.85 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 4658115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).