N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

C22H23ClN4O — CID 78863991

IUPACN-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N(C3CC3)C(C)c3ccccc3Cl)cn2)n1
InChIInChI=1S/C22H23ClN4O/c1-14-12-15(2)27(25-14)21-11-8-17(13-24-21)22(28)26(18-9-10-18)16(3)19-6-4-5-7-20(19)23/h4-8,11-13,16,18H,9-10H2,1-3H3
InChIKeyRBRPCOULZBFWRT-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.90
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 78863991) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID78863991
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N(C3CC3)C(C)c3ccccc3Cl)cn2)n1
InChIInChI=1S/C22H23ClN4O/c1-14-12-15(2)27(25-14)21-11-8-17(13-24-21)22(28)26(18-9-10-18)16(3)19-6-4-5-7-20(19)23/h4-8,11-13,16,18H,9-10H2,1-3H3
InChIKeyRBRPCOULZBFWRT-UHFFFAOYSA-N
XLogP4.90
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 110090881
propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644847
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 46428022
(2,4-dichlorophenyl) 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55667631
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524167
[1-(benzylamino)-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 46459431
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644993
(2-oxo-2-propan-2-yloxyethyl) 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704824
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644929
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023380
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704026
(3-chlorophenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 46428242

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (CID 78863991) is N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)N(C3CC3)C(C)c3ccccc3Cl)cn2)n1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is RBRPCOULZBFWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-14-12-15(2)27(25-14)21-11-8-17(13-24-21)22(28)26(18-9-10-18)16(3)19-6-4-5-7-20(19)23/h4-8,11-13,16,18H,9-10H2,1-3H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 78863991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).