1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide

C14H18F2N4O3 — CID 146140029

IUPAC1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1(COC)CCCN1C(=O)c1cc(C(F)F)ncn1
InChIInChI=1S/C14H18F2N4O3/c1-17-13(22)14(7-23-2)4-3-5-20(14)12(21)10-6-9(11(15)16)18-8-19-10/h6,8,11H,3-5,7H2,1-2H3,(H,17,22)
InChIKeyJNORZZHXDDQSQE-UHFFFAOYSA-N
MW328.32 g/mol
LogP0.78
Rot. Bonds5

About 1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide

1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 146140029) has the molecular formula C14H18F2N4O3 and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID146140029
Molecular FormulaC14H18F2N4O3
Molecular Weight328.32 g/mol
Exact Mass328.13
IUPAC Name1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1(COC)CCCN1C(=O)c1cc(C(F)F)ncn1
InChIInChI=1S/C14H18F2N4O3/c1-17-13(22)14(7-23-2)4-3-5-20(14)12(21)10-6-9(11(15)16)18-8-19-10/h6,8,11H,3-5,7H2,1-2H3,(H,17,22)
InChIKeyJNORZZHXDDQSQE-UHFFFAOYSA-N
XLogP0.78
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide (CID 146140029) is 1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1(COC)CCCN1C(=O)c1cc(C(F)F)ncn1.
What is the InChIKey of 1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is JNORZZHXDDQSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O3/c1-17-13(22)14(7-23-2)4-3-5-20(14)12(21)10-6-9(11(15)16)18-8-19-10/h6,8,11H,3-5,7H2,1-2H3,(H,17,22).
What are the key properties of 1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 146140029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).