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

C19H19ClFN5O — CID 90353100

IUPACN-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride
SMILESCc1cc(Nc2ccc(C(=O)NCCF)cc2)nc(-c2cccnc2)n1.Cl
InChIInChI=1S/C19H18FN5O.ClH/c1-13-11-17(25-18(23-13)15-3-2-9-21-12-15)24-16-6-4-14(5-7-16)19(26)22-10-8-20;/h2-7,9,11-12H,8,10H2,1H3,(H,22,26)(H,23,24,25);1H
InChIKeyQRZUSXACIQTNQT-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.71
Rot. Bonds6

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

N-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride (PubChem CID 90353100) has the molecular formula C19H19ClFN5O and a molecular weight of 387.85 g/mol. Its IUPAC name is N-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride
PubChem CID90353100
Molecular FormulaC19H19ClFN5O
Molecular Weight387.85 g/mol
Exact Mass387.13
IUPAC NameN-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride
SMILESCc1cc(Nc2ccc(C(=O)NCCF)cc2)nc(-c2cccnc2)n1.Cl
InChIInChI=1S/C19H18FN5O.ClH/c1-13-11-17(25-18(23-13)15-3-2-9-21-12-15)24-16-6-4-14(5-7-16)19(26)22-10-8-20;/h2-7,9,11-12H,8,10H2,1H3,(H,22,26)(H,23,24,25);1H
InChIKeyQRZUSXACIQTNQT-UHFFFAOYSA-N
XLogP3.71
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride?
The IUPAC name of N-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride (CID 90353100) is N-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride?
The canonical SMILES for N-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride is Cc1cc(Nc2ccc(C(=O)NCCF)cc2)nc(-c2cccnc2)n1.Cl.
What is the InChIKey of N-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride?
The InChIKey is QRZUSXACIQTNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O.ClH/c1-13-11-17(25-18(23-13)15-3-2-9-21-12-15)24-16-6-4-14(5-7-16)19(26)22-10-8-20;/h2-7,9,11-12H,8,10H2,1H3,(H,22,26)(H,23,24,25);1H.
What are the key properties of N-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride?
N-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride has a molecular weight of 387.85 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride is sourced from PubChem (CID 90353100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).