N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide

C23H24FN5O — CID 134796384

IUPACN-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(c2nccc(Nc3ccccc3F)n2)CC1
InChIInChI=1S/C23H24FN5O/c1-16-6-2-3-7-18(16)22(30)26-17-11-14-29(15-12-17)23-25-13-10-21(28-23)27-20-9-5-4-8-19(20)24/h2-10,13,17H,11-12,14-15H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyKXHNYCBTUZLHJQ-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.07
Rot. Bonds5

About N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide

N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 134796384) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide
PubChem CID134796384
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC NameN-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(c2nccc(Nc3ccccc3F)n2)CC1
InChIInChI=1S/C23H24FN5O/c1-16-6-2-3-7-18(16)22(30)26-17-11-14-29(15-12-17)23-25-13-10-21(28-23)27-20-9-5-4-8-19(20)24/h2-10,13,17H,11-12,14-15H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyKXHNYCBTUZLHJQ-UHFFFAOYSA-N
XLogP4.07
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide
CID 134799618
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
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide
CID 134798788
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide
CID 136577669
[4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 134799983
2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide
CID 136511678
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 134799597
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
CID 23723582
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide (CID 134796384) is N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(c2nccc(Nc3ccccc3F)n2)CC1.
What is the InChIKey of N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is KXHNYCBTUZLHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-16-6-2-3-7-18(16)22(30)26-17-11-14-29(15-12-17)23-25-13-10-21(28-23)27-20-9-5-4-8-19(20)24/h2-10,13,17H,11-12,14-15H2,1H3,(H,26,30)(H,25,27,28).
What are the key properties of N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 405.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 134796384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).