N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide

C28H32N4O4 — CID 136509176

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide
SMILESO=C(c1nc(CC2(c3ccccn3)CCCC2)[nH]c(=O)c1OCc1ccccc1)N(CCO)C1CC1
InChIInChI=1S/C28H32N4O4/c33-17-16-32(21-11-12-21)27(35)24-25(36-19-20-8-2-1-3-9-20)26(34)31-23(30-24)18-28(13-5-6-14-28)22-10-4-7-15-29-22/h1-4,7-10,15,21,33H,5-6,11-14,16-19H2,(H,30,31,34)
InChIKeyWNFFMAUWKDYDLL-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.40
Rot. Bonds10

About N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide

N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide (PubChem CID 136509176) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide
PubChem CID136509176
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide
SMILESO=C(c1nc(CC2(c3ccccn3)CCCC2)[nH]c(=O)c1OCc1ccccc1)N(CCO)C1CC1
InChIInChI=1S/C28H32N4O4/c33-17-16-32(21-11-12-21)27(35)24-25(36-19-20-8-2-1-3-9-20)26(34)31-23(30-24)18-28(13-5-6-14-28)22-10-4-7-15-29-22/h1-4,7-10,15,21,33H,5-6,11-14,16-19H2,(H,30,31,34)
InChIKeyWNFFMAUWKDYDLL-UHFFFAOYSA-N
XLogP3.40
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide
CID 136509280
5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136509373
6-oxo-2-[(1-phenylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid
CID 136509186
5-butoxy-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-N-(oxetan-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136509394
ethane;N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 144664260
6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid
CID 137053482
N-cyclopentyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 54994544
methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 137027779
benzyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate
CID 171068971
tert-butyl 6-oxo-2-(2-phenylcyclopentyl)-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 137069087
tert-butyl 5-butoxy-2-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxylate
CID 136509415
tert-butyl 2-[[1-[(2-methylpropan-2-yl)oxy]piperidin-4-yl]methyl]-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 137150323

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide (CID 136509176) is N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide is O=C(c1nc(CC2(c3ccccn3)CCCC2)[nH]c(=O)c1OCc1ccccc1)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is WNFFMAUWKDYDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c33-17-16-32(21-11-12-21)27(35)24-25(36-19-20-8-2-1-3-9-20)26(34)31-23(30-24)18-28(13-5-6-14-28)22-10-4-7-15-29-22/h1-4,7-10,15,21,33H,5-6,11-14,16-19H2,(H,30,31,34).
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide?
N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 3.40, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136509176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).