N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide

C16H14ClN5O2 — CID 1475595

IUPACN-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide
SMILESCc1c(-c2ccn[nH]2)cc(NC(=O)c2ccc(Cl)cc2)c(=O)n1N
InChIInChI=1S/C16H14ClN5O2/c1-9-12(13-6-7-19-21-13)8-14(16(24)22(9)18)20-15(23)10-2-4-11(17)5-3-10/h2-8H,18H2,1H3,(H,19,21)(H,20,23)
InChIKeyJYBOIYVOUXORRF-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.17
Rot. Bonds3

About N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide

N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide (PubChem CID 1475595) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide
PubChem CID1475595
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC NameN-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide
SMILESCc1c(-c2ccn[nH]2)cc(NC(=O)c2ccc(Cl)cc2)c(=O)n1N
InChIInChI=1S/C16H14ClN5O2/c1-9-12(13-6-7-19-21-13)8-14(16(24)22(9)18)20-15(23)10-2-4-11(17)5-3-10/h2-8H,18H2,1H3,(H,19,21)(H,20,23)
InChIKeyJYBOIYVOUXORRF-UHFFFAOYSA-N
XLogP2.17
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 7969446
3-(2,4-dichlorophenyl)-N-isopropyl-1H-pyrazole-5-carboxamide
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CID 24811298
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-chloro-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
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4-Butylpyrazole-3-carboxylic acid (2-chloro-4-fluorophenyl)amide
CID 86619651
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 3221280
1-(2-chlorobenzoyl)-N-phenyl-1H-pyrazole-3-carboxamide
CID 3689692
3-(2,4-dichlorophenyl)-N-isobutyl-1H-pyrazole-5-carboxamide
CID 19509990
(3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl)(4-methylpiperazin-1-yl)methanone
CID 24178134
(3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl)(4-ethylpiperazin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide?
The IUPAC name of N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide (CID 1475595) is N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide?
The canonical SMILES for N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide is Cc1c(-c2ccn[nH]2)cc(NC(=O)c2ccc(Cl)cc2)c(=O)n1N.
What is the InChIKey of N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide?
The InChIKey is JYBOIYVOUXORRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-9-12(13-6-7-19-21-13)8-14(16(24)22(9)18)20-15(23)10-2-4-11(17)5-3-10/h2-8H,18H2,1H3,(H,19,21)(H,20,23).
What are the key properties of N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide?
N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide has a molecular weight of 343.77 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-chlorobenzamide is sourced from PubChem (CID 1475595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).