4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide

C24H25FN6O3 — CID 56680001

IUPAC4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1N
InChIInChI=1S/C24H25FN6O3/c1-34-20-5-3-2-4-18(20)21(32)19-14-27-23(30-22(19)26)28-17-10-12-31(13-11-17)24(33)29-16-8-6-15(25)7-9-16/h2-9,14,17H,10-13H2,1H3,(H,29,33)(H3,26,27,28,30)
InChIKeyOUUARJTYDBUVIP-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.55
Rot. Bonds6

About 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide

4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 56680001) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID56680001
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC Name4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1N
InChIInChI=1S/C24H25FN6O3/c1-34-20-5-3-2-4-18(20)21(32)19-14-27-23(30-22(19)26)28-17-10-12-31(13-11-17)24(33)29-16-8-6-15(25)7-9-16/h2-9,14,17H,10-13H2,1H3,(H,29,33)(H3,26,27,28,30)
InChIKeyOUUARJTYDBUVIP-UHFFFAOYSA-N
XLogP3.55
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide (CID 56680001) is 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide is COc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1N.
What is the InChIKey of 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is OUUARJTYDBUVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-34-20-5-3-2-4-18(20)21(32)19-14-27-23(30-22(19)26)28-17-10-12-31(13-11-17)24(33)29-16-8-6-15(25)7-9-16/h2-9,14,17H,10-13H2,1H3,(H,29,33)(H3,26,27,28,30).
What are the key properties of 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide?
4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 56680001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).