N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-2,2-dimethylpropanamide

C25H28FN5O3 — CID 11626849

IUPACN-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCn1c(N2CCO[C@@H](c3ccc(NC(=O)C(C)(C)C)cc3)C2)nc(-c2ccncc2F)cc1=O
InChIInChI=1S/C25H28FN5O3/c1-25(2,3)23(33)28-17-7-5-16(6-8-17)21-15-31(11-12-34-21)24-29-20(13-22(32)30(24)4)18-9-10-27-14-19(18)26/h5-10,13-14,21H,11-12,15H2,1-4H3,(H,28,33)/t21-/m1/s1
InChIKeyBDYKEWKCNDACOV-OAQYLSRUSA-N
MW465.53 g/mol
LogP3.54
Rot. Bonds4

About N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-2,2-dimethylpropanamide

N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 11626849) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID11626849
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC NameN-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCn1c(N2CCO[C@@H](c3ccc(NC(=O)C(C)(C)C)cc3)C2)nc(-c2ccncc2F)cc1=O
InChIInChI=1S/C25H28FN5O3/c1-25(2,3)23(33)28-17-7-5-16(6-8-17)21-15-31(11-12-34-21)24-29-20(13-22(32)30(24)4)18-9-10-27-14-19(18)26/h5-10,13-14,21H,11-12,15H2,1-4H3,(H,28,33)/t21-/m1/s1
InChIKeyBDYKEWKCNDACOV-OAQYLSRUSA-N
XLogP3.54
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-2,2-dimethylpropanamide (CID 11626849) is N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-2,2-dimethylpropanamide is Cn1c(N2CCO[C@@H](c3ccc(NC(=O)C(C)(C)C)cc3)C2)nc(-c2ccncc2F)cc1=O.
What is the InChIKey of N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is BDYKEWKCNDACOV-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-25(2,3)23(33)28-17-7-5-16(6-8-17)21-15-31(11-12-34-21)24-29-20(13-22(32)30(24)4)18-9-10-27-14-19(18)26/h5-10,13-14,21H,11-12,15H2,1-4H3,(H,28,33)/t21-/m1/s1.
What are the key properties of N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-2,2-dimethylpropanamide?
N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 465.53 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 11626849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).