N-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide

C25H26N6O3 — CID 17375454

IUPACN-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)c(C(=O)NCCOC)n1
InChIInChI=1S/C25H26N6O3/c1-4-31-15-21(23(30-31)25(33)27-11-12-34-3)29-24(32)19-13-20(17-8-6-10-26-14-17)28-22-16(2)7-5-9-18(19)22/h5-10,13-15H,4,11-12H2,1-3H3,(H,27,33)(H,29,32)
InChIKeyFDYQFGNFBXJGJG-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.45
Rot. Bonds8

About N-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide

N-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 17375454) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID17375454
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC NameN-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)c(C(=O)NCCOC)n1
InChIInChI=1S/C25H26N6O3/c1-4-31-15-21(23(30-31)25(33)27-11-12-34-3)29-24(32)19-13-20(17-8-6-10-26-14-17)28-22-16(2)7-5-9-18(19)22/h5-10,13-15H,4,11-12H2,1-3H3,(H,27,33)(H,29,32)
InChIKeyFDYQFGNFBXJGJG-UHFFFAOYSA-N
XLogP3.45
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 17373735
N-(2-hydroxyethyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 5033603
ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 17372871
2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 17375453
N-(furan-2-ylmethyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 17373004
methyl 1-ethyl-4-[[2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]pyrazole-3-carboxylate
CID 19512247
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea
CID 24819782
methyl 2-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]carbamothioylamino]-5-phenylthiophene-3-carboxylate
CID 17375684
N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide
CID 3639002
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
2,8-dimethyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 46997083

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide (CID 17375454) is N-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide is CCn1cc(NC(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)c(C(=O)NCCOC)n1.
What is the InChIKey of N-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is FDYQFGNFBXJGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-4-31-15-21(23(30-31)25(33)27-11-12-34-3)29-24(32)19-13-20(17-8-6-10-26-14-17)28-22-16(2)7-5-9-18(19)22/h5-10,13-15H,4,11-12H2,1-3H3,(H,27,33)(H,29,32).
What are the key properties of N-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
N-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 17375454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).