3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide

C11H14F2N4O — CID 126856917

IUPAC3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(F)CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C11H14F2N4O/c1-16(2)9(18)11(13)3-4-17(7-11)10-14-5-8(12)6-15-10/h5-6H,3-4,7H2,1-2H3
InChIKeyBVRHMGFVMMRCRA-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.62
Rot. Bonds2

About 3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide

3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 126856917) has the molecular formula C11H14F2N4O and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID126856917
Molecular FormulaC11H14F2N4O
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(F)CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C11H14F2N4O/c1-16(2)9(18)11(13)3-4-17(7-11)10-14-5-8(12)6-15-10/h5-6H,3-4,7H2,1-2H3
InChIKeyBVRHMGFVMMRCRA-UHFFFAOYSA-N
XLogP0.62
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-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

3,3-difluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 135382224
ethyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 135382866
2-[(5R)-2-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide
CID 97482392
[3,3-difluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidin-4-yl]-(3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone
CID 142475951
2-[[(3R,5S)-7-(5-fluoropyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]-N,N-dimethylacetamide
CID 97476911
(5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 97450270
tert-butyl 8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 156821670
2-(dimethylamino)-1-[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 134080137
2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 118742689
(3S)-3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carbonyl chloride
CID 142475962
7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane
CID 170607583
6-acetyl-2-(5-fluoropyrimidin-2-yl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131656473

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide (CID 126856917) is 3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide is CN(C)C(=O)C1(F)CCN(c2ncc(F)cn2)C1.
What is the InChIKey of 3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is BVRHMGFVMMRCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O/c1-16(2)9(18)11(13)3-4-17(7-11)10-14-5-8(12)6-15-10/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide?
3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 126856917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).