N-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide

C24H29N3O3 — CID 167189090

IUPACN-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
SMILESCCC(O)c1cc(C)c(C2=Cc3cnc(NC(=O)C4CC4)cc3N(C)C2O)c(C)c1
InChIInChI=1S/C24H29N3O3/c1-5-20(28)16-8-13(2)22(14(3)9-16)18-10-17-12-25-21(26-23(29)15-6-7-15)11-19(17)27(4)24(18)30/h8-12,15,20,24,28,30H,5-7H2,1-4H3,(H,25,26,29)
InChIKeyBYTKDYDCGFSNOO-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.80
Rot. Bonds5

About N-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide

N-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide (PubChem CID 167189090) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
PubChem CID167189090
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
SMILESCCC(O)c1cc(C)c(C2=Cc3cnc(NC(=O)C4CC4)cc3N(C)C2O)c(C)c1
InChIInChI=1S/C24H29N3O3/c1-5-20(28)16-8-13(2)22(14(3)9-16)18-10-17-12-25-21(26-23(29)15-6-7-15)11-19(17)27(4)24(18)30/h8-12,15,20,24,28,30H,5-7H2,1-4H3,(H,25,26,29)
InChIKeyBYTKDYDCGFSNOO-UHFFFAOYSA-N
XLogP3.80
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide 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

N-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 167188939
2-fluoro-N-[2-hydroxy-1-methyl-3-(4-methyl-3-pyridinyl)-2H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 167188940
N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555163
N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 1452755
N-[4-methyl-5-(methylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 167023085
1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol
CID 102545010
N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171556220
N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 171556431
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
N-[5-methyl-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626822
N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide
CID 1452762
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide (CID 167189090) is N-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide is CCC(O)c1cc(C)c(C2=Cc3cnc(NC(=O)C4CC4)cc3N(C)C2O)c(C)c1.
What is the InChIKey of N-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The InChIKey is BYTKDYDCGFSNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-5-20(28)16-8-13(2)22(14(3)9-16)18-10-17-12-25-21(26-23(29)15-6-7-15)11-19(17)27(4)24(18)30/h8-12,15,20,24,28,30H,5-7H2,1-4H3,(H,25,26,29).
What are the key properties of N-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
N-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(1-hydroxypropyl)-2,6-dimethylphenyl]-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 167189090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).