N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride

C21H18ClN5O2 — CID 68706385

IUPACN-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride
SMILESCl.O=C(NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1)c1ccccc1
InChIInChI=1S/C21H17N5O2.ClH/c27-20(16-5-2-1-3-6-16)24-12-15-8-10-23-19(11-15)26-21(28)18(14-25-26)17-7-4-9-22-13-17;/h1-11,13-14,25H,12H2,(H,24,27);1H
InChIKeyMJZSUHDJHHIJEH-UHFFFAOYSA-N
MW407.86 g/mol
LogP2.97
Rot. Bonds5

About N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride

N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride (PubChem CID 68706385) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride
PubChem CID68706385
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC NameN-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride
SMILESCl.O=C(NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1)c1ccccc1
InChIInChI=1S/C21H17N5O2.ClH/c27-20(16-5-2-1-3-6-16)24-12-15-8-10-23-19(11-15)26-21(28)18(14-25-26)17-7-4-9-22-13-17;/h1-11,13-14,25H,12H2,(H,24,27);1H
InChIKeyMJZSUHDJHHIJEH-UHFFFAOYSA-N
XLogP2.97
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride with MolForge

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Related Compounds

N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide
CID 59186984
2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide
CID 141255098
2-[4-[(cyclohexylmethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one
CID 24897730
1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea
CID 59280187
3-(4-chloro-3,4-dihydropyrazol-2-yl)-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]propanamide
CID 89307370
ethyl 4-(methylamino)butanoate;N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]formamide
CID 143687190
2-[4-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one;2,2,2-trifluoroacetic acid
CID 68717571
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
4-pyridin-3-yl-2-[5-(pyrrol-1-ylmethyl)-2-pyridinyl]-1H-pyrazol-3-one;hydrochloride
CID 68716849
ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide
CID 143687198
2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 25073750
N-benzylpyridine-3-carboxamide chloride
CID 21204170

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride?
The IUPAC name of N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride (CID 68706385) is N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride.
What is the SMILES notation for N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride?
The canonical SMILES for N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride is Cl.O=C(NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1)c1ccccc1.
What is the InChIKey of N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride?
The InChIKey is MJZSUHDJHHIJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2.ClH/c27-20(16-5-2-1-3-6-16)24-12-15-8-10-23-19(11-15)26-21(28)18(14-25-26)17-7-4-9-22-13-17;/h1-11,13-14,25H,12H2,(H,24,27);1H.
What are the key properties of N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride?
N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride has a molecular weight of 407.86 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 68706385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).