N-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide

C20H19ClN4O2 — CID 167606937

IUPACN-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)cn2)c(Cl)c1
InChIInChI=1S/C20H19ClN4O2/c1-3-20(27)25(2)15-5-6-16(17(21)11-15)18-7-4-13(12-22-18)19(26)10-14-8-9-23-24-14/h4-9,11-12H,3,10H2,1-2H3,(H,23,24)
InChIKeyRILAOKQBHRITEV-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.92
Rot. Bonds6

About N-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide

N-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide (PubChem CID 167606937) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
PubChem CID167606937
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)cn2)c(Cl)c1
InChIInChI=1S/C20H19ClN4O2/c1-3-20(27)25(2)15-5-6-16(17(21)11-15)18-7-4-13(12-22-18)19(26)10-14-8-9-23-24-14/h4-9,11-12H,3,10H2,1-2H3,(H,23,24)
InChIKeyRILAOKQBHRITEV-UHFFFAOYSA-N
XLogP3.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167544590
N-[3-chloro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167531654
N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide
CID 167605649
N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167538672
N-[3-fluoro-4-[5-[2-(1-methylpyrazol-4-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167663805
N-[3-fluoro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167654048
N-[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167602133
N-[3-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167701388
N-[3-chloro-4-[6-[3-(2-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167574705
N-[4-[6-[3-(2-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-chlorophenyl]-N-methylpropanamide
CID 167574706
6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 153360908
N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide
CID 167646445

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide (CID 167606937) is N-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)cn2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide?
The InChIKey is RILAOKQBHRITEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-3-20(27)25(2)15-5-6-16(17(21)11-15)18-7-4-13(12-22-18)19(26)10-14-8-9-23-24-14/h4-9,11-12H,3,10H2,1-2H3,(H,23,24).
What are the key properties of N-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide?
N-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide has a molecular weight of 382.85 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167606937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).