N-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide

C17H16F2N4O3 — CID 99274195

IUPACN-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2=O)n1
InChIInChI=1S/C17H16F2N4O3/c1-10-20-8-6-11(21-10)15(24)22-12-7-9-23(16(12)25)13-4-2-3-5-14(13)26-17(18)19/h2-6,8,12,17H,7,9H2,1H3,(H,22,24)/t12-/m1/s1
InChIKeyZABOGCIDFNLMKY-GFCCVEGCSA-N
MW362.34 g/mol
LogP1.92
Rot. Bonds5

About N-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide

N-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide (PubChem CID 99274195) has the molecular formula C17H16F2N4O3 and a molecular weight of 362.34 g/mol. Its IUPAC name is N-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide
PubChem CID99274195
Molecular FormulaC17H16F2N4O3
Molecular Weight362.34 g/mol
Exact Mass362.12
IUPAC NameN-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2=O)n1
InChIInChI=1S/C17H16F2N4O3/c1-10-20-8-6-11(21-10)15(24)22-12-7-9-23(16(12)25)13-4-2-3-5-14(13)26-17(18)19/h2-6,8,12,17H,7,9H2,1H3,(H,22,24)/t12-/m1/s1
InChIKeyZABOGCIDFNLMKY-GFCCVEGCSA-N
XLogP1.92
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide (CID 99274195) is N-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide is Cc1nccc(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2=O)n1.
What is the InChIKey of N-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is ZABOGCIDFNLMKY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16F2N4O3/c1-10-20-8-6-11(21-10)15(24)22-12-7-9-23(16(12)25)13-4-2-3-5-14(13)26-17(18)19/h2-6,8,12,17H,7,9H2,1H3,(H,22,24)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide?
N-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 362.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 99274195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).