1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide

C20H26FN5O — CID 134799597

IUPAC1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(c2nccc(Nc3ccccc3F)n2)C1
InChIInChI=1S/C20H26FN5O/c1-14(2)12-23-19(27)15-6-5-11-26(13-15)20-22-10-9-18(25-20)24-17-8-4-3-7-16(17)21/h3-4,7-10,14-15H,5-6,11-13H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyPJLUGZOBKRQCDW-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.35
Rot. Bonds6

About 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide

1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 134799597) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID134799597
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(c2nccc(Nc3ccccc3F)n2)C1
InChIInChI=1S/C20H26FN5O/c1-14(2)12-23-19(27)15-6-5-11-26(13-15)20-22-10-9-18(25-20)24-17-8-4-3-7-16(17)21/h3-4,7-10,14-15H,5-6,11-13H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyPJLUGZOBKRQCDW-UHFFFAOYSA-N
XLogP3.35
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 134800218
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide
CID 134798788
(3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085826
1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 134802244
1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 134799744
N-[(2-chlorophenyl)methyl]-1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidine-3-carboxamide
CID 134797699
methyl 4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 134800523
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899013
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53035331
(3S)-N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452595
(3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52507745
N-(2-methoxyethyl)-1-[4-(4-methylanilino)pyrimidin-2-yl]piperidine-3-carboxamide
CID 134801627

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide (CID 134799597) is 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide is CC(C)CNC(=O)C1CCCN(c2nccc(Nc3ccccc3F)n2)C1.
What is the InChIKey of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is PJLUGZOBKRQCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-14(2)12-23-19(27)15-6-5-11-26(13-15)20-22-10-9-18(25-20)24-17-8-4-3-7-16(17)21/h3-4,7-10,14-15H,5-6,11-13H2,1-2H3,(H,23,27)(H,22,24,25).
What are the key properties of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide?
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 134799597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).