[5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid

C19H25F3N4O3 — CID 118420184

IUPAC[5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid
SMILESCC(C)CC(N)(CF)COC1=CNC(NC(=O)O)(c2ccncc2)C=C1C(F)F
InChIInChI=1S/C19H25F3N4O3/c1-12(2)7-18(23,10-20)11-29-15-9-25-19(26-17(27)28,8-14(15)16(21)22)13-3-5-24-6-4-13/h3-6,8-9,12,16,25-26H,7,10-11,23H2,1-2H3,(H,27,28)
InChIKeyMQAXABFYKZWSPM-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.87
Rot. Bonds9

About [5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid

[5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid (PubChem CID 118420184) has the molecular formula C19H25F3N4O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is [5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid
PubChem CID118420184
Molecular FormulaC19H25F3N4O3
Molecular Weight414.43 g/mol
Exact Mass414.19
IUPAC Name[5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid
SMILESCC(C)CC(N)(CF)COC1=CNC(NC(=O)O)(c2ccncc2)C=C1C(F)F
InChIInChI=1S/C19H25F3N4O3/c1-12(2)7-18(23,10-20)11-29-15-9-25-19(26-17(27)28,8-14(15)16(21)22)13-3-5-24-6-4-13/h3-6,8-9,12,16,25-26H,7,10-11,23H2,1-2H3,(H,27,28)
InChIKeyMQAXABFYKZWSPM-UHFFFAOYSA-N
XLogP2.87
TPSA109.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid 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 [5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid?
The IUPAC name of [5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid (CID 118420184) is [5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid.
What is the SMILES notation for [5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid?
The canonical SMILES for [5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid is CC(C)CC(N)(CF)COC1=CNC(NC(=O)O)(c2ccncc2)C=C1C(F)F.
What is the InChIKey of [5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid?
The InChIKey is MQAXABFYKZWSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O3/c1-12(2)7-18(23,10-20)11-29-15-9-25-19(26-17(27)28,8-14(15)16(21)22)13-3-5-24-6-4-13/h3-6,8-9,12,16,25-26H,7,10-11,23H2,1-2H3,(H,27,28).
What are the key properties of [5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid?
[5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid has a molecular weight of 414.43 g/mol, XLogP of 2.87, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-amino-2-(fluoromethyl)-4-methylpentoxy]-4-(difluoromethyl)-2-pyridin-4-yl-1H-pyridin-2-yl]carbamic acid is sourced from PubChem (CID 118420184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).