2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide

C24H25N5O3 — CID 118076256

IUPAC2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide
SMILESCC(=O)N1c2ccc(-c3cnn(C4CC4)c3)c(Oc3ncccc3C(N)=O)c2CCC1C
InChIInChI=1S/C24H25N5O3/c1-14-5-8-19-21(29(14)15(2)30)10-9-18(16-12-27-28(13-16)17-6-7-17)22(19)32-24-20(23(25)31)4-3-11-26-24/h3-4,9-14,17H,5-8H2,1-2H3,(H2,25,31)
InChIKeyNRRPAPPCQYATEH-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.86
Rot. Bonds5

About 2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide

2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide (PubChem CID 118076256) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide
PubChem CID118076256
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide
SMILESCC(=O)N1c2ccc(-c3cnn(C4CC4)c3)c(Oc3ncccc3C(N)=O)c2CCC1C
InChIInChI=1S/C24H25N5O3/c1-14-5-8-19-21(29(14)15(2)30)10-9-18(16-12-27-28(13-16)17-6-7-17)22(19)32-24-20(23(25)31)4-3-11-26-24/h3-4,9-14,17H,5-8H2,1-2H3,(H2,25,31)
InChIKeyNRRPAPPCQYATEH-UHFFFAOYSA-N
XLogP3.86
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide (CID 118076256) is 2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide is CC(=O)N1c2ccc(-c3cnn(C4CC4)c3)c(Oc3ncccc3C(N)=O)c2CCC1C.
What is the InChIKey of 2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide?
The InChIKey is NRRPAPPCQYATEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-14-5-8-19-21(29(14)15(2)30)10-9-18(16-12-27-28(13-16)17-6-7-17)22(19)32-24-20(23(25)31)4-3-11-26-24/h3-4,9-14,17H,5-8H2,1-2H3,(H2,25,31).
What are the key properties of 2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide?
2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 118076256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).