2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide

C21H24FN5O — CID 169176075

IUPAC2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide
SMILESC/N=C(\C=C/N)C1CCCC1C(=O)Nc1ccc(C)c(-c2ncc(F)cn2)c1
InChIInChI=1S/C21H24FN5O/c1-13-6-7-15(10-18(13)20-25-11-14(22)12-26-20)27-21(28)17-5-3-4-16(17)19(24-2)8-9-23/h6-12,16-17H,3-5,23H2,1-2H3,(H,27,28)/b9-8-,24-19+
InChIKeyNDJGAJPSZJYWND-KGNAICQSSA-N
MW381.46 g/mol
LogP3.49
Rot. Bonds5

About 2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide

2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide (PubChem CID 169176075) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide
PubChem CID169176075
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide
SMILESC/N=C(\C=C/N)C1CCCC1C(=O)Nc1ccc(C)c(-c2ncc(F)cn2)c1
InChIInChI=1S/C21H24FN5O/c1-13-6-7-15(10-18(13)20-25-11-14(22)12-26-20)27-21(28)17-5-3-4-16(17)19(24-2)8-9-23/h6-12,16-17H,3-5,23H2,1-2H3,(H,27,28)/b9-8-,24-19+
InChIKeyNDJGAJPSZJYWND-KGNAICQSSA-N
XLogP3.49
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-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

Related Compounds

N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 169176342
(2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide
CID 169176512
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide
CID 169176409
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide
CID 169176102
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-7-azabicyclo[4.2.0]octane-7-carboxamide
CID 169176474
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 169175838
(7R)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-7-methyl-2-pyrimidin-2-yl-2-azabicyclo[4.1.0]heptane-3-carboxamide
CID 169175899
(2R,4S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-4-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 169176187
(1R,3R,5R)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-pyrimidin-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 169176239
(3R,4S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-4-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 169176649
(2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 169176226
(1R,2R,4S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 169176479

Frequently Asked Questions

What is the IUPAC name of 2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide (CID 169176075) is 2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide is C/N=C(\C=C/N)C1CCCC1C(=O)Nc1ccc(C)c(-c2ncc(F)cn2)c1.
What is the InChIKey of 2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide?
The InChIKey is NDJGAJPSZJYWND-KGNAICQSSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-13-6-7-15(10-18(13)20-25-11-14(22)12-26-20)27-21(28)17-5-3-4-16(17)19(24-2)8-9-23/h6-12,16-17H,3-5,23H2,1-2H3,(H,27,28)/b9-8-,24-19+.
What are the key properties of 2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide?
2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 169176075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).