2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

C23H24FN5O2 — CID 137268094

IUPAC2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NC3CCN(C(=O)c4ccccc4F)CC3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C23H24FN5O2/c1-14-15(2)26-21(28-22(14)30)16-7-8-20(25-13-16)27-17-9-11-29(12-10-17)23(31)18-5-3-4-6-19(18)24/h3-8,13,17H,9-12H2,1-2H3,(H,25,27)(H,26,28,30)
InChIKeyNEXRDJCTMNYYFZ-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.30
Rot. Bonds4

About 2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137268094) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137268094
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NC3CCN(C(=O)c4ccccc4F)CC3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C23H24FN5O2/c1-14-15(2)26-21(28-22(14)30)16-7-8-20(25-13-16)27-17-9-11-29(12-10-17)23(31)18-5-3-4-6-19(18)24/h3-8,13,17H,9-12H2,1-2H3,(H,25,27)(H,26,28,30)
InChIKeyNEXRDJCTMNYYFZ-UHFFFAOYSA-N
XLogP3.30
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137269550
2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136735563
4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268074
2-[6-[(2-hydroxycyclopentyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275514
2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273746
(2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 60504520
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 110820368
N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 137268111
[4-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 55827795
2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137274924
(2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone
CID 86808741
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014181

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137268094) is 2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(NC3CCN(C(=O)c4ccccc4F)CC3)nc2)[nH]c(=O)c1C.
What is the InChIKey of 2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is NEXRDJCTMNYYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-14-15(2)26-21(28-22(14)30)16-7-8-20(25-13-16)27-17-9-11-29(12-10-17)23(31)18-5-3-4-6-19(18)24/h3-8,13,17H,9-12H2,1-2H3,(H,25,27)(H,26,28,30).
What are the key properties of 2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 421.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137268094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).