2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one

C24H26N4O3 — CID 136881126

IUPAC2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCc1ccc(OC(C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)cc1
InChIInChI=1S/C24H26N4O3/c1-16-6-8-19(9-7-16)31-17(2)24(30)28-13-10-18(11-14-28)23-26-21(15-22(29)27-23)20-5-3-4-12-25-20/h3-9,12,15,17-18H,10-11,13-14H2,1-2H3,(H,26,27,29)
InChIKeyCFYWGPHDTXFSGK-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.31
Rot. Bonds5

About 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one

2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 136881126) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID136881126
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCc1ccc(OC(C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)cc1
InChIInChI=1S/C24H26N4O3/c1-16-6-8-19(9-7-16)31-17(2)24(30)28-13-10-18(11-14-28)23-26-21(15-22(29)27-23)20-5-3-4-12-25-20/h3-9,12,15,17-18H,10-11,13-14H2,1-2H3,(H,26,27,29)
InChIKeyCFYWGPHDTXFSGK-UHFFFAOYSA-N
XLogP3.31
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
CID 122192868
2-(4-Methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 717251
1-[2-(2-Methylphenoxy)propanoyl]-4-(2-pyridinyl)piperazine
CID 2976964
2-(4-methylphenoxy)-N-[2-(2-pyridylcarbonylamino)ethyl]acetamide
CID 2990967
2-(4-methylphenoxy)-N-4-pyridinylpropanamide
CID 6472042
6-Methyl-N-[3-(2-p-tolyloxy-acetylamino)-propyl]-nicotinamide
CID 6498659
N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 46943464
2-(4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 564290
2-Methoxy-1-[4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]-1-piperidinyl]ethanone
CID 59374198
N-Benzyl-2-(2-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-pyridin-2-ylmethyl-acetamide
CID 652735
2-(6-Methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-pyridin-3-ylmethyl-acetamide
CID 866249
(E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 882473

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (CID 136881126) is 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is Cc1ccc(OC(C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)cc1.
What is the InChIKey of 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is CFYWGPHDTXFSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-6-8-19(9-7-16)31-17(2)24(30)28-13-10-18(11-14-28)23-26-21(15-22(29)27-23)20-5-3-4-12-25-20/h3-9,12,15,17-18H,10-11,13-14H2,1-2H3,(H,26,27,29).
What are the key properties of 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 418.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136881126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).