2-methyl-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C21H23N5O2 — CID 4119841

IUPAC2-methyl-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cn2)C(c2cnn(C)c2)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H23N5O2/c1-12-7-8-17(22-9-12)25-21(28)18-13(2)24-15-5-4-6-16(27)20(15)19(18)14-10-23-26(3)11-14/h7-11,19,24H,4-6H2,1-3H3,(H,22,25,28)
InChIKeyCWFHNUDMNSICQA-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.73
Rot. Bonds3

About 2-methyl-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

2-methyl-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 4119841) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-methyl-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID4119841
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-methyl-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cn2)C(c2cnn(C)c2)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H23N5O2/c1-12-7-8-17(22-9-12)25-21(28)18-13(2)24-15-5-4-6-16(27)20(15)19(18)14-10-23-26(3)11-14/h7-11,19,24H,4-6H2,1-3H3,(H,22,25,28)
InChIKeyCWFHNUDMNSICQA-UHFFFAOYSA-N
XLogP2.73
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-methyl-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 4119841) is 2-methyl-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccc(C)cn2)C(c2cnn(C)c2)C2=C(CCCC2=O)N1.
What is the InChIKey of 2-methyl-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is CWFHNUDMNSICQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-12-7-8-17(22-9-12)25-21(28)18-13(2)24-15-5-4-6-16(27)20(15)19(18)14-10-23-26(3)11-14/h7-11,19,24H,4-6H2,1-3H3,(H,22,25,28).
What are the key properties of 2-methyl-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-methyl-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 4119841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).