6-methyl-5-[(E)-3-(5-methyl-6-pyrazol-1-yl-3-pyridinyl)prop-2-enoyl]pyridine-3-carboxylic acid

C19H16N4O3 — CID 166396621

IUPAC6-methyl-5-[(E)-3-(5-methyl-6-pyrazol-1-yl-3-pyridinyl)prop-2-enoyl]pyridine-3-carboxylic acid
SMILESCc1cc(/C=C/C(=O)c2cc(C(=O)O)cnc2C)cnc1-n1cccn1
InChIInChI=1S/C19H16N4O3/c1-12-8-14(10-21-18(12)23-7-3-6-22-23)4-5-17(24)16-9-15(19(25)26)11-20-13(16)2/h3-11H,1-2H3,(H,25,26)/b5-4+
InChIKeyAUOGKTMSSFVQPN-SNAWJCMRSA-N
MW348.36 g/mol
LogP2.87
Rot. Bonds5

About 6-methyl-5-[(E)-3-(5-methyl-6-pyrazol-1-yl-3-pyridinyl)prop-2-enoyl]pyridine-3-carboxylic acid

6-methyl-5-[(E)-3-(5-methyl-6-pyrazol-1-yl-3-pyridinyl)prop-2-enoyl]pyridine-3-carboxylic acid (PubChem CID 166396621) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 6-methyl-5-[(E)-3-(5-methyl-6-pyrazol-1-yl-3-pyridinyl)prop-2-enoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-[(E)-3-(5-methyl-6-pyrazol-1-yl-3-pyridinyl)prop-2-enoyl]pyridine-3-carboxylic acid
PubChem CID166396621
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name6-methyl-5-[(E)-3-(5-methyl-6-pyrazol-1-yl-3-pyridinyl)prop-2-enoyl]pyridine-3-carboxylic acid
SMILESCc1cc(/C=C/C(=O)c2cc(C(=O)O)cnc2C)cnc1-n1cccn1
InChIInChI=1S/C19H16N4O3/c1-12-8-14(10-21-18(12)23-7-3-6-22-23)4-5-17(24)16-9-15(19(25)26)11-20-13(16)2/h3-11H,1-2H3,(H,25,26)/b5-4+
InChIKeyAUOGKTMSSFVQPN-SNAWJCMRSA-N
XLogP2.87
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride
CID 175154002
5-(chloromethyl)-3-methyl-2-pyrazol-1-ylpyridine
CID 80629454
3-(4-methyl-1,3-thiazol-5-yl)-1-(2-pyrazol-1-ylphenyl)prop-2-en-1-one
CID 71870870
(E)-3-[6-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 114411467
5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
CID 80631790
2-methyl-6-pyrazol-1-ylbenzoic acid
CID 84670599
(E)-3-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80634012
5-methyl-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 66935695
(E)-3-[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80638044
(E)-3-[5-methyl-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 80633319
(E)-3-[6-(4-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80633393
(E)-3-[5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 80636464

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(E)-3-(5-methyl-6-pyrazol-1-yl-3-pyridinyl)prop-2-enoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-5-[(E)-3-(5-methyl-6-pyrazol-1-yl-3-pyridinyl)prop-2-enoyl]pyridine-3-carboxylic acid (CID 166396621) is 6-methyl-5-[(E)-3-(5-methyl-6-pyrazol-1-yl-3-pyridinyl)prop-2-enoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-5-[(E)-3-(5-methyl-6-pyrazol-1-yl-3-pyridinyl)prop-2-enoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-5-[(E)-3-(5-methyl-6-pyrazol-1-yl-3-pyridinyl)prop-2-enoyl]pyridine-3-carboxylic acid is Cc1cc(/C=C/C(=O)c2cc(C(=O)O)cnc2C)cnc1-n1cccn1.
What is the InChIKey of 6-methyl-5-[(E)-3-(5-methyl-6-pyrazol-1-yl-3-pyridinyl)prop-2-enoyl]pyridine-3-carboxylic acid?
The InChIKey is AUOGKTMSSFVQPN-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12-8-14(10-21-18(12)23-7-3-6-22-23)4-5-17(24)16-9-15(19(25)26)11-20-13(16)2/h3-11H,1-2H3,(H,25,26)/b5-4+.
What are the key properties of 6-methyl-5-[(E)-3-(5-methyl-6-pyrazol-1-yl-3-pyridinyl)prop-2-enoyl]pyridine-3-carboxylic acid?
6-methyl-5-[(E)-3-(5-methyl-6-pyrazol-1-yl-3-pyridinyl)prop-2-enoyl]pyridine-3-carboxylic acid has a molecular weight of 348.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(E)-3-(5-methyl-6-pyrazol-1-yl-3-pyridinyl)prop-2-enoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 166396621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).