3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide

C20H22ClN5O — CID 119438318

IUPAC3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
SMILESCCNCc1cccc(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)c1
InChIInChI=1S/C20H22ClN5O/c1-4-22-12-15-6-5-7-16(11-15)23-20(27)19-17(21)8-9-18(24-19)26-14(3)10-13(2)25-26/h5-11,22H,4,12H2,1-3H3,(H,23,27)
InChIKeyRPITUEWMKMLSIN-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.90
Rot. Bonds6

About 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide (PubChem CID 119438318) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
PubChem CID119438318
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
SMILESCCNCc1cccc(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)c1
InChIInChI=1S/C20H22ClN5O/c1-4-22-12-15-6-5-7-16(11-15)23-20(27)19-17(21)8-9-18(24-19)26-14(3)10-13(2)25-26/h5-11,22H,4,12H2,1-3H3,(H,23,27)
InChIKeyRPITUEWMKMLSIN-UHFFFAOYSA-N
XLogP3.90
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[3-(diethylcarbamoyl)phenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784719
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-2-carboxamide
CID 78861473
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide
CID 112768765
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 55551117
3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 3926647
3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55348261
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55349924
N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78875751
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide
CID 56527757
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide
CID 55408607
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide
CID 119431879
N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 119438262

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide (CID 119438318) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide is CCNCc1cccc(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)c1.
What is the InChIKey of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is RPITUEWMKMLSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-4-22-12-15-6-5-7-16(11-15)23-20(27)19-17(21)8-9-18(24-19)26-14(3)10-13(2)25-26/h5-11,22H,4,12H2,1-3H3,(H,23,27).
What are the key properties of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide?
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 119438318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).