N-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C19H20N6O2 — CID 166874299

IUPACN-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cncc(C)c1-c1ccc(NC(=O)CNC(=O)c2ccnn2C)nc1
InChIInChI=1S/C19H20N6O2/c1-12-8-20-9-13(2)18(12)14-4-5-16(21-10-14)24-17(26)11-22-19(27)15-6-7-23-25(15)3/h4-10H,11H2,1-3H3,(H,22,27)(H,21,24,26)
InChIKeyZDRWHUHRGNJUMQ-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.86
Rot. Bonds5

About N-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 166874299) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID166874299
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cncc(C)c1-c1ccc(NC(=O)CNC(=O)c2ccnn2C)nc1
InChIInChI=1S/C19H20N6O2/c1-12-8-20-9-13(2)18(12)14-4-5-16(21-10-14)24-17(26)11-22-19(27)15-6-7-23-25(15)3/h4-10H,11H2,1-3H3,(H,22,27)(H,21,24,26)
InChIKeyZDRWHUHRGNJUMQ-UHFFFAOYSA-N
XLogP1.86
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 166874299) is N-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is Cc1cncc(C)c1-c1ccc(NC(=O)CNC(=O)c2ccnn2C)nc1.
What is the InChIKey of N-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is ZDRWHUHRGNJUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12-8-20-9-13(2)18(12)14-4-5-16(21-10-14)24-17(26)11-22-19(27)15-6-7-23-25(15)3/h4-10H,11H2,1-3H3,(H,22,27)(H,21,24,26).
What are the key properties of N-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166874299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).