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

C20H21N5O2 — CID 166874282

IUPACN-[2-[4-(3,5-dimethyl-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cncc(C)c1-c1ccc(NC(=O)CNC(=O)c2ccnn2C)cc1
InChIInChI=1S/C20H21N5O2/c1-13-10-21-11-14(2)19(13)15-4-6-16(7-5-15)24-18(26)12-22-20(27)17-8-9-23-25(17)3/h4-11H,12H2,1-3H3,(H,22,27)(H,24,26)
InChIKeyJEHAVASVUNFDOU-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.47
Rot. Bonds5

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

N-[2-[4-(3,5-dimethyl-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 166874282) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[2-[4-(3,5-dimethyl-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dimethyl-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID166874282
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[2-[4-(3,5-dimethyl-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cncc(C)c1-c1ccc(NC(=O)CNC(=O)c2ccnn2C)cc1
InChIInChI=1S/C20H21N5O2/c1-13-10-21-11-14(2)19(13)15-4-6-16(7-5-15)24-18(26)12-22-20(27)17-8-9-23-25(17)3/h4-11H,12H2,1-3H3,(H,22,27)(H,24,26)
InChIKeyJEHAVASVUNFDOU-UHFFFAOYSA-N
XLogP2.47
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dimethyl-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[4-(3,5-dimethyl-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 166874282) is N-[2-[4-(3,5-dimethyl-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(3,5-dimethyl-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(3,5-dimethyl-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is Cc1cncc(C)c1-c1ccc(NC(=O)CNC(=O)c2ccnn2C)cc1.
What is the InChIKey of N-[2-[4-(3,5-dimethyl-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is JEHAVASVUNFDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-10-21-11-14(2)19(13)15-4-6-16(7-5-15)24-18(26)12-22-20(27)17-8-9-23-25(17)3/h4-11H,12H2,1-3H3,(H,22,27)(H,24,26).
What are the key properties of N-[2-[4-(3,5-dimethyl-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[2-[4-(3,5-dimethyl-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dimethyl-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166874282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).