4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide

C19H17F2N5O — CID 78319456

IUPAC4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide
SMILESCc1cc(Nc2cc(C(=O)NCCF)ccc2F)nc(-c2cccnc2)n1
InChIInChI=1S/C19H17F2N5O/c1-12-9-17(26-18(24-12)14-3-2-7-22-11-14)25-16-10-13(4-5-15(16)21)19(27)23-8-6-20/h2-5,7,9-11H,6,8H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyUCCBGCAUQCJOBC-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.43
Rot. Bonds6

About 4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide

4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide (PubChem CID 78319456) has the molecular formula C19H17F2N5O and a molecular weight of 369.38 g/mol. Its IUPAC name is 4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide
PubChem CID78319456
Molecular FormulaC19H17F2N5O
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide
SMILESCc1cc(Nc2cc(C(=O)NCCF)ccc2F)nc(-c2cccnc2)n1
InChIInChI=1S/C19H17F2N5O/c1-12-9-17(26-18(24-12)14-3-2-7-22-11-14)25-16-10-13(4-5-15(16)21)19(27)23-8-6-20/h2-5,7,9-11H,6,8H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyUCCBGCAUQCJOBC-UHFFFAOYSA-N
XLogP3.43
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride
CID 90352995
N-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride
CID 90353100
2-[4-fluoro-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]acetaldehyde
CID 90356704
4-chloro-N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 133334322
N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide
CID 133279464
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide
CID 86266190
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]benzamide;hydrochloride
CID 69227970
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide
CID 50982961
N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133356492

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide?
The IUPAC name of 4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide (CID 78319456) is 4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for 4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide?
The canonical SMILES for 4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide is Cc1cc(Nc2cc(C(=O)NCCF)ccc2F)nc(-c2cccnc2)n1.
What is the InChIKey of 4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide?
The InChIKey is UCCBGCAUQCJOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O/c1-12-9-17(26-18(24-12)14-3-2-7-22-11-14)25-16-10-13(4-5-15(16)21)19(27)23-8-6-20/h2-5,7,9-11H,6,8H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide?
4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide has a molecular weight of 369.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 78319456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).