1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide

C22H25N5O3 — CID 164618127

IUPAC1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide
SMILESCNC(=O)CN(CC(c1ccccc1)n1cccn1)C(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C22H25N5O3/c1-16-12-18(13-25(3)21(16)29)22(30)26(15-20(28)23-2)14-19(27-11-7-10-24-27)17-8-5-4-6-9-17/h4-13,19H,14-15H2,1-3H3,(H,23,28)
InChIKeyLCHAUIFENUJYEV-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.37
Rot. Bonds7

About 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide

1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide (PubChem CID 164618127) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide
PubChem CID164618127
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide
SMILESCNC(=O)CN(CC(c1ccccc1)n1cccn1)C(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C22H25N5O3/c1-16-12-18(13-25(3)21(16)29)22(30)26(15-20(28)23-2)14-19(27-11-7-10-24-27)17-8-5-4-6-9-17/h4-13,19H,14-15H2,1-3H3,(H,23,28)
InChIKeyLCHAUIFENUJYEV-UHFFFAOYSA-N
XLogP1.37
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-(2,2-diphenylethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 164620903
N-(2,2-diphenylethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 164611308
1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide
CID 156613426
N,1,5-trimethyl-6-oxopyridine-3-carboxamide
CID 156716692
N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide
CID 146165038
N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine
CID 141401683
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
CID 122161450
(3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one
CID 102125729
N,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide
CID 131889976
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-2,2-diphenylacetamide
CID 122266052
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide (CID 164618127) is 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide is CNC(=O)CN(CC(c1ccccc1)n1cccn1)C(=O)c1cc(C)c(=O)n(C)c1.
What is the InChIKey of 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is LCHAUIFENUJYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-16-12-18(13-25(3)21(16)29)22(30)26(15-20(28)23-2)14-19(27-11-7-10-24-27)17-8-5-4-6-9-17/h4-13,19H,14-15H2,1-3H3,(H,23,28).
What are the key properties of 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide?
1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 164618127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).