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

C25H31N5O2 — CID 15945723

IUPAC4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
SMILESCCn1cc(C2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(C)n1
InChIInChI=1S/C25H31N5O2/c1-7-30-13-17(15(3)29-30)22-21(24(32)28-20-10-14(2)8-9-26-20)16(4)27-18-11-25(5,6)12-19(31)23(18)22/h8-10,13,22,27H,7,11-12H2,1-6H3,(H,26,28,32)
InChIKeySIFLWUIQICACCC-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.16
Rot. Bonds4

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

4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide (PubChem CID 15945723) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
PubChem CID15945723
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
SMILESCCn1cc(C2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(C)n1
InChIInChI=1S/C25H31N5O2/c1-7-30-13-17(15(3)29-30)22-21(24(32)28-20-10-14(2)8-9-26-20)16(4)27-18-11-25(5,6)12-19(31)23(18)22/h8-10,13,22,27H,7,11-12H2,1-6H3,(H,26,28,32)
InChIKeySIFLWUIQICACCC-UHFFFAOYSA-N
XLogP4.16
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide (CID 15945723) is 4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide is CCn1cc(C2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(C)n1.
What is the InChIKey of 4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is SIFLWUIQICACCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-7-30-13-17(15(3)29-30)22-21(24(32)28-20-10-14(2)8-9-26-20)16(4)27-18-11-25(5,6)12-19(31)23(18)22/h8-10,13,22,27H,7,11-12H2,1-6H3,(H,26,28,32).
What are the key properties of 4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 15945723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).