1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide

C19H17Cl2N5O3 — CID 134697674

IUPAC1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)Cn1cc(NC(=O)c2cccn(Cc3c(Cl)cccc3Cl)c2=O)cn1
InChIInChI=1S/C19H17Cl2N5O3/c1-22-17(27)11-26-9-12(8-23-26)24-18(28)13-4-3-7-25(19(13)29)10-14-15(20)5-2-6-16(14)21/h2-9H,10-11H2,1H3,(H,22,27)(H,24,28)
InChIKeyCPAVUCPCLFVPTO-UHFFFAOYSA-N
MW434.28 g/mol
LogP2.40
Rot. Bonds6

About 1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide

1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide (PubChem CID 134697674) has the molecular formula C19H17Cl2N5O3 and a molecular weight of 434.28 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide
PubChem CID134697674
Molecular FormulaC19H17Cl2N5O3
Molecular Weight434.28 g/mol
Exact Mass433.07
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)Cn1cc(NC(=O)c2cccn(Cc3c(Cl)cccc3Cl)c2=O)cn1
InChIInChI=1S/C19H17Cl2N5O3/c1-22-17(27)11-26-9-12(8-23-26)24-18(28)13-4-3-7-25(19(13)29)10-14-15(20)5-2-6-16(14)21/h2-9H,10-11H2,1H3,(H,22,27)(H,24,28)
InChIKeyCPAVUCPCLFVPTO-UHFFFAOYSA-N
XLogP2.40
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395454
2-bromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 47267940
4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 61103330
2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 134710621
4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide
CID 81228976
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19395492
methyl 2-[4-[(3-chloro-2-methylbenzoyl)amino]pyrazol-1-yl]acetate
CID 99843425
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3,4-difluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598199
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3-chloro-4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598223
2-bromo-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 60932817
methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402203
1-[(2-chloro-6-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598234

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide (CID 134697674) is 1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide is CNC(=O)Cn1cc(NC(=O)c2cccn(Cc3c(Cl)cccc3Cl)c2=O)cn1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide?
The InChIKey is CPAVUCPCLFVPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O3/c1-22-17(27)11-26-9-12(8-23-26)24-18(28)13-4-3-7-25(19(13)29)10-14-15(20)5-2-6-16(14)21/h2-9H,10-11H2,1H3,(H,22,27)(H,24,28).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide?
1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide has a molecular weight of 434.28 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 134697674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).