N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridine-2-carbonylamino)propan-2-yl]pyrimidine-4-carboxamide

C22H22FN5O4 — CID 54737248

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridine-2-carbonylamino)propan-2-yl]pyrimidine-4-carboxamide
SMILESCn1c(C(C)(C)NC(=O)c2ccccn2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C22H22FN5O4/c1-22(2,27-18(30)15-6-4-5-11-24-15)21-26-16(17(29)20(32)28(21)3)19(31)25-12-13-7-9-14(23)10-8-13/h4-11,29H,12H2,1-3H3,(H,25,31)(H,27,30)
InChIKeyAYYZVIZCPBKXCO-UHFFFAOYSA-N
MW439.45 g/mol
LogP1.62
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridine-2-carbonylamino)propan-2-yl]pyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridine-2-carbonylamino)propan-2-yl]pyrimidine-4-carboxamide (PubChem CID 54737248) has the molecular formula C22H22FN5O4 and a molecular weight of 439.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridine-2-carbonylamino)propan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridine-2-carbonylamino)propan-2-yl]pyrimidine-4-carboxamide
PubChem CID54737248
Molecular FormulaC22H22FN5O4
Molecular Weight439.45 g/mol
Exact Mass439.17
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridine-2-carbonylamino)propan-2-yl]pyrimidine-4-carboxamide
SMILESCn1c(C(C)(C)NC(=O)c2ccccn2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C22H22FN5O4/c1-22(2,27-18(30)15-6-4-5-11-24-15)21-26-16(17(29)20(32)28(21)3)19(31)25-12-13-7-9-14(23)10-8-13/h4-11,29H,12H2,1-3H3,(H,25,31)(H,27,30)
InChIKeyAYYZVIZCPBKXCO-UHFFFAOYSA-N
XLogP1.62
TPSA126.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridine-2-carbonylamino)propan-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridine-2-carbonylamino)propan-2-yl]pyrimidine-4-carboxamide (CID 54737248) is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridine-2-carbonylamino)propan-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridine-2-carbonylamino)propan-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridine-2-carbonylamino)propan-2-yl]pyrimidine-4-carboxamide is Cn1c(C(C)(C)NC(=O)c2ccccn2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridine-2-carbonylamino)propan-2-yl]pyrimidine-4-carboxamide?
The InChIKey is AYYZVIZCPBKXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O4/c1-22(2,27-18(30)15-6-4-5-11-24-15)21-26-16(17(29)20(32)28(21)3)19(31)25-12-13-7-9-14(23)10-8-13/h4-11,29H,12H2,1-3H3,(H,25,31)(H,27,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridine-2-carbonylamino)propan-2-yl]pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridine-2-carbonylamino)propan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 439.45 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridine-2-carbonylamino)propan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 54737248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).