N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide

C20H26N4O2 — CID 168923813

IUPACN-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide
SMILESCCCN(CC(O)c1cccnc1)C(=O)Cc1cnc(C2(C)CC2)nc1
InChIInChI=1S/C20H26N4O2/c1-3-9-24(14-17(25)16-5-4-8-21-13-16)18(26)10-15-11-22-19(23-12-15)20(2)6-7-20/h4-5,8,11-13,17,25H,3,6-7,9-10,14H2,1-2H3
InChIKeySDYZIMPSEUOLMR-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.44
Rot. Bonds8

About N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide

N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide (PubChem CID 168923813) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide
PubChem CID168923813
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide
SMILESCCCN(CC(O)c1cccnc1)C(=O)Cc1cnc(C2(C)CC2)nc1
InChIInChI=1S/C20H26N4O2/c1-3-9-24(14-17(25)16-5-4-8-21-13-16)18(26)10-15-11-22-19(23-12-15)20(2)6-7-20/h4-5,8,11-13,17,25H,3,6-7,9-10,14H2,1-2H3
InChIKeySDYZIMPSEUOLMR-UHFFFAOYSA-N
XLogP2.44
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 168923951
2-(dipropylamino)-1-pyridin-3-ylethanol
CID 82216469
tert-butyl N-[2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]ethyl]carbamate
CID 162379714
5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide
CID 170307810
N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379775
2-(dibutylamino)-1-pyridin-3-ylethanol
CID 82216499
N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 168923909
2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide
CID 162379709
5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
CID 162379666
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379778
2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide
CID 170186910
3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid
CID 82216497

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide?
The IUPAC name of N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide (CID 168923813) is N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide.
What is the SMILES notation for N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide?
The canonical SMILES for N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide is CCCN(CC(O)c1cccnc1)C(=O)Cc1cnc(C2(C)CC2)nc1.
What is the InChIKey of N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide?
The InChIKey is SDYZIMPSEUOLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-9-24(14-17(25)16-5-4-8-21-13-16)18(26)10-15-11-22-19(23-12-15)20(2)6-7-20/h4-5,8,11-13,17,25H,3,6-7,9-10,14H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide?
N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide has a molecular weight of 354.45 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide is sourced from PubChem (CID 168923813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).