N-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one

C24H35FN4O3 — CID 142875249

IUPACN-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one
SMILESCCCCC(CNOCc1ccccc1)C(=O)N1CCCC1.O=CNC1=NC=C(F)CC1
InChIInChI=1S/C18H28N2O2.C6H7FN2O/c1-2-3-11-17(18(21)20-12-7-8-13-20)14-19-22-15-16-9-5-4-6-10-16;7-5-1-2-6(8-3-5)9-4-10/h4-6,9-10,17,19H,2-3,7-8,11-15H2,1H3;3-4H,1-2H2,(H,8,9,10)
InChIKeyDVEYFEOZQWFVJR-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.87
Rot. Bonds10

About N-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one

N-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 142875249) has the molecular formula C24H35FN4O3 and a molecular weight of 446.57 g/mol. Its IUPAC name is N-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound NameN-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one
PubChem CID142875249
Molecular FormulaC24H35FN4O3
Molecular Weight446.57 g/mol
Exact Mass446.27
IUPAC NameN-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one
SMILESCCCCC(CNOCc1ccccc1)C(=O)N1CCCC1.O=CNC1=NC=C(F)CC1
InChIInChI=1S/C18H28N2O2.C6H7FN2O/c1-2-3-11-17(18(21)20-12-7-8-13-20)14-19-22-15-16-9-5-4-6-10-16;7-5-1-2-6(8-3-5)9-4-10/h4-6,9-10,17,19H,2-3,7-8,11-15H2,1H3;3-4H,1-2H2,(H,8,9,10)
InChIKeyDVEYFEOZQWFVJR-UHFFFAOYSA-N
XLogP3.87
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one 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 N-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of N-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one (CID 142875249) is N-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for N-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for N-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one is CCCCC(CNOCc1ccccc1)C(=O)N1CCCC1.O=CNC1=NC=C(F)CC1.
What is the InChIKey of N-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is DVEYFEOZQWFVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.C6H7FN2O/c1-2-3-11-17(18(21)20-12-7-8-13-20)14-19-22-15-16-9-5-4-6-10-16;7-5-1-2-6(8-3-5)9-4-10/h4-6,9-10,17,19H,2-3,7-8,11-15H2,1H3;3-4H,1-2H2,(H,8,9,10).
What are the key properties of N-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one?
N-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 446.57 g/mol, XLogP of 3.87, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-3,4-dihydropyridin-2-yl)formamide;2-[(phenylmethoxyamino)methyl]-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 142875249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).