1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide

C21H25N5O3 — CID 90622203

IUPAC1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cnn(CC3CCOCC3)c2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H25N5O3/c1-3-25-13-18(19(27)17-5-4-14(2)23-20(17)25)21(28)24-16-10-22-26(12-16)11-15-6-8-29-9-7-15/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3,(H,24,28)
InChIKeyRCZVUUPPBXFESS-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.60
Rot. Bonds5

About 1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 90622203) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID90622203
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cnn(CC3CCOCC3)c2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H25N5O3/c1-3-25-13-18(19(27)17-5-4-14(2)23-20(17)25)21(28)24-16-10-22-26(12-16)11-15-6-8-29-9-7-15/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3,(H,24,28)
InChIKeyRCZVUUPPBXFESS-UHFFFAOYSA-N
XLogP2.60
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-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

Related Compounds

4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
1-ethyl-7-methyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660892
4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
N-(4-butan-2-ylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 3188582
1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 654366
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
CID 90622137
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
CID 90622320
2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622077
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264
1-ethyl-N-(5-fluoro-2-methylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53087079
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 90622203) is 1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)Nc2cnn(CC3CCOCC3)c2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is RCZVUUPPBXFESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-3-25-13-18(19(27)17-5-4-14(2)23-20(17)25)21(28)24-16-10-22-26(12-16)11-15-6-8-29-9-7-15/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3,(H,24,28).
What are the key properties of 1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 90622203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).