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

C23H27N5O2 — CID 3626476

IUPAC4-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCn1ncc(C2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)c1C
InChIInChI=1S/C23H27N5O2/c1-5-28-15(4)16(12-25-28)21-20(23(30)27-19-10-9-13(2)11-24-19)14(3)26-17-7-6-8-18(29)22(17)21/h9-12,21,26H,5-8H2,1-4H3,(H,24,27,30)
InChIKeyMNKZDRNDZZYPLR-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.52
Rot. Bonds4

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

4-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 3626476) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID3626476
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name4-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCn1ncc(C2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)c1C
InChIInChI=1S/C23H27N5O2/c1-5-28-15(4)16(12-25-28)21-20(23(30)27-19-10-9-13(2)11-24-19)14(3)26-17-7-6-8-18(29)22(17)21/h9-12,21,26H,5-8H2,1-4H3,(H,24,27,30)
InChIKeyMNKZDRNDZZYPLR-UHFFFAOYSA-N
XLogP3.52
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 3626476) is 4-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCn1ncc(C2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)c1C.
What is the InChIKey of 4-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is MNKZDRNDZZYPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-5-28-15(4)16(12-25-28)21-20(23(30)27-19-10-9-13(2)11-24-19)14(3)26-17-7-6-8-18(29)22(17)21/h9-12,21,26H,5-8H2,1-4H3,(H,24,27,30).
What are the key properties of 4-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3626476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).