2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide

C24H27N5O4 — CID 136673512

IUPAC2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide
SMILESCOc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OCC(N)=O
InChIInChI=1S/C24H27N5O4/c1-32-21-11-16(4-5-20(21)33-15-22(25)30)13-29-10-2-3-18(14-29)19-12-23(31)28-24(27-19)17-6-8-26-9-7-17/h4-9,11-12,18H,2-3,10,13-15H2,1H3,(H2,25,30)(H,27,28,31)/t18-/m0/s1
InChIKeyLMSRNCGXBVDDCT-SFHVURJKSA-N
MW449.51 g/mol
LogP2.08
Rot. Bonds8

About 2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide

2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide (PubChem CID 136673512) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide
PubChem CID136673512
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide
SMILESCOc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OCC(N)=O
InChIInChI=1S/C24H27N5O4/c1-32-21-11-16(4-5-20(21)33-15-22(25)30)13-29-10-2-3-18(14-29)19-12-23(31)28-24(27-19)17-6-8-26-9-7-17/h4-9,11-12,18H,2-3,10,13-15H2,1H3,(H2,25,30)(H,27,28,31)/t18-/m0/s1
InChIKeyLMSRNCGXBVDDCT-SFHVURJKSA-N
XLogP2.08
TPSA123.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136735250
4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765718
4-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136765637
4-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765807
4-[1-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765805
4-[1-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]piperidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136765667
4-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136681421
2-pyridin-4-yl-4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673491
4-[(3S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136735331
2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide
CID 77084796
2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-4-ethyl-1H-pyrimidin-6-one
CID 136707388
4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850293

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide (CID 136673512) is 2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide is COc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide?
The InChIKey is LMSRNCGXBVDDCT-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-32-21-11-16(4-5-20(21)33-15-22(25)30)13-29-10-2-3-18(14-29)19-12-23(31)28-24(27-19)17-6-8-26-9-7-17/h4-9,11-12,18H,2-3,10,13-15H2,1H3,(H2,25,30)(H,27,28,31)/t18-/m0/s1.
What are the key properties of 2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide?
2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide has a molecular weight of 449.51 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 136673512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).