ethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide

C24H30N4O4 — CID 144664260

IUPACethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESCC.CC(C)N(CCO)C(=O)c1nc(-c2ccccn2)[nH]c(=O)c1OCc1ccccc1
InChIInChI=1S/C22H24N4O4.C2H6/c1-15(2)26(12-13-27)22(29)18-19(30-14-16-8-4-3-5-9-16)21(28)25-20(24-18)17-10-6-7-11-23-17;1-2/h3-11,15,27H,12-14H2,1-2H3,(H,24,25,28);1-2H3
InChIKeyBCBXCUVONSNGHF-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.28
Rot. Bonds8

About ethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide

ethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 144664260) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is ethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Nameethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID144664260
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Nameethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESCC.CC(C)N(CCO)C(=O)c1nc(-c2ccccn2)[nH]c(=O)c1OCc1ccccc1
InChIInChI=1S/C22H24N4O4.C2H6/c1-15(2)26(12-13-27)22(29)18-19(30-14-16-8-4-3-5-9-16)21(28)25-20(24-18)17-10-6-7-11-23-17;1-2/h3-11,15,27H,12-14H2,1-2H3,(H,24,25,28);1-2H3
InChIKeyBCBXCUVONSNGHF-UHFFFAOYSA-N
XLogP3.28
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide with MolForge

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Related Compounds

5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 158186431
N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide
CID 136509176
5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136593223
5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 157439446
5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 162060757
N-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
CID 166559533
3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide
CID 55602174
5-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136599306
methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 137027779
N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 135601940
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
2-[4-(bromomethyl)phenyl]-6-oxo-5-(phenylmethoxymethoxy)-1H-pyrimidine-4-carboxylic acid
CID 136650355

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of ethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (CID 144664260) is ethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for ethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for ethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is CC.CC(C)N(CCO)C(=O)c1nc(-c2ccccn2)[nH]c(=O)c1OCc1ccccc1.
What is the InChIKey of ethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is BCBXCUVONSNGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4.C2H6/c1-15(2)26(12-13-27)22(29)18-19(30-14-16-8-4-3-5-9-16)21(28)25-20(24-18)17-10-6-7-11-23-17;1-2/h3-11,15,27H,12-14H2,1-2H3,(H,24,25,28);1-2H3.
What are the key properties of ethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
ethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 144664260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).