5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide

C19H21ClN4O2 — CID 130459350

IUPAC5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide
SMILESCCNc1cc(Cl)cc(C(=O)NCc2c(C)cc3cc[nH]n3c2=O)c1C
InChIInChI=1S/C19H21ClN4O2/c1-4-21-17-9-13(20)8-15(12(17)3)18(25)22-10-16-11(2)7-14-5-6-23-24(14)19(16)26/h5-9,21,23H,4,10H2,1-3H3,(H,22,25)
InChIKeyYSRYOGGGJCVFHS-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.26
Rot. Bonds5

About 5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide

5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide (PubChem CID 130459350) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide
PubChem CID130459350
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide
SMILESCCNc1cc(Cl)cc(C(=O)NCc2c(C)cc3cc[nH]n3c2=O)c1C
InChIInChI=1S/C19H21ClN4O2/c1-4-21-17-9-13(20)8-15(12(17)3)18(25)22-10-16-11(2)7-14-5-6-23-24(14)19(16)26/h5-9,21,23H,4,10H2,1-3H3,(H,22,25)
InChIKeyYSRYOGGGJCVFHS-UHFFFAOYSA-N
XLogP3.26
TPSA78.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide
CID 130459571
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)benzamide
CID 70913266
5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]benzamide;5-chloro-3-(ethylamino)-2-methyl-N-[(7-methyl-5-oxo-1H-triazolo[1,5-a]pyridin-6-yl)methyl]benzamide;bis(N,N-dimethylcyclohexanamine);ethane
CID 144778406
5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine
CID 144654721
5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62181465
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2,5-dioxopyrrolidin-1-yl)-2-methylbenzamide
CID 70913209
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(2-methoxypyrimidin-5-yl)-2-methylbenzamide
CID 155215801
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide
CID 90150987
3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide
CID 130459810
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
1-[4-chloro-2-(ethylamino)phenyl]propan-1-one
CID 23619743
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide
CID 144610795

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide?
The IUPAC name of 5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide (CID 130459350) is 5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide is CCNc1cc(Cl)cc(C(=O)NCc2c(C)cc3cc[nH]n3c2=O)c1C.
What is the InChIKey of 5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide?
The InChIKey is YSRYOGGGJCVFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-4-21-17-9-13(20)8-15(12(17)3)18(25)22-10-16-11(2)7-14-5-6-23-24(14)19(16)26/h5-9,21,23H,4,10H2,1-3H3,(H,22,25).
What are the key properties of 5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide?
5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide has a molecular weight of 372.86 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide is sourced from PubChem (CID 130459350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).