2-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

C22H23FN4O2 — CID 171556101

IUPAC2-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESC=CCC(O)C1C=C(C)C(c2cnc3cc(NC(=O)C4CC4F)ncc3c2)=CN1
InChIInChI=1S/C22H23FN4O2/c1-3-4-20(28)19-5-12(2)16(11-25-19)13-6-14-10-26-21(8-18(14)24-9-13)27-22(29)15-7-17(15)23/h3,5-6,8-11,15,17,19-20,25,28H,1,4,7H2,2H3,(H,26,27,29)
InChIKeyQLPHECPXRDDBPH-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.12
Rot. Bonds6

About 2-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

2-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (PubChem CID 171556101) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
PubChem CID171556101
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name2-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESC=CCC(O)C1C=C(C)C(c2cnc3cc(NC(=O)C4CC4F)ncc3c2)=CN1
InChIInChI=1S/C22H23FN4O2/c1-3-4-20(28)19-5-12(2)16(11-25-19)13-6-14-10-26-21(8-18(14)24-9-13)27-22(29)15-7-17(15)23/h3,5-6,8-11,15,17,19-20,25,28H,1,4,7H2,2H3,(H,26,27,29)
InChIKeyQLPHECPXRDDBPH-UHFFFAOYSA-N
XLogP3.12
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-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-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (CID 171556101) is 2-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is C=CCC(O)C1C=C(C)C(c2cnc3cc(NC(=O)C4CC4F)ncc3c2)=CN1.
What is the InChIKey of 2-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The InChIKey is QLPHECPXRDDBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-3-4-20(28)19-5-12(2)16(11-25-19)13-6-14-10-26-21(8-18(14)24-9-13)27-22(29)15-7-17(15)23/h3,5-6,8-11,15,17,19-20,25,28H,1,4,7H2,2H3,(H,26,27,29).
What are the key properties of 2-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[2-(1-hydroxybut-3-enyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171556101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).