N-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide

C24H28N4O4 — CID 92619131

IUPACN-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)[C@@H]1CC(=O)OC12CCCCC2
InChIInChI=1S/C24H28N4O4/c1-25-22(30)17-15-27-21(16-8-4-2-5-9-16)28-19(17)10-13-26-23(31)18-14-20(29)32-24(18)11-6-3-7-12-24/h2,4-5,8-9,15,18H,3,6-7,10-14H2,1H3,(H,25,30)(H,26,31)/t18-/m0/s1
InChIKeyRNZALJSZDVQTSZ-SFHVURJKSA-N
MW436.51 g/mol
LogP2.43
Rot. Bonds6

About N-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide

N-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide (PubChem CID 92619131) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide
PubChem CID92619131
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)[C@@H]1CC(=O)OC12CCCCC2
InChIInChI=1S/C24H28N4O4/c1-25-22(30)17-15-27-21(16-8-4-2-5-9-16)28-19(17)10-13-26-23(31)18-14-20(29)32-24(18)11-6-3-7-12-24/h2,4-5,8-9,15,18H,3,6-7,10-14H2,1H3,(H,25,30)(H,26,31)/t18-/m0/s1
InChIKeyRNZALJSZDVQTSZ-SFHVURJKSA-N
XLogP2.43
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide (CID 92619131) is N-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide is CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)[C@@H]1CC(=O)OC12CCCCC2.
What is the InChIKey of N-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide?
The InChIKey is RNZALJSZDVQTSZ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-25-22(30)17-15-27-21(16-8-4-2-5-9-16)28-19(17)10-13-26-23(31)18-14-20(29)32-24(18)11-6-3-7-12-24/h2,4-5,8-9,15,18H,3,6-7,10-14H2,1H3,(H,25,30)(H,26,31)/t18-/m0/s1.
What are the key properties of N-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide?
N-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 92619131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).