2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide

C22H27N5O4 — CID 75306073

IUPAC2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1ccccc1OCc1cccnc1
InChIInChI=1S/C22H27N5O4/c28-21(12-19-25-20(13-22(29)26-19)27-8-10-30-11-9-27)24-17-5-1-2-6-18(17)31-15-16-4-3-7-23-14-16/h1-7,14,19-20,25H,8-13,15H2,(H,24,28)(H,26,29)
InChIKeyWSXAJBVSPKELKD-UHFFFAOYSA-N
MW425.49 g/mol
LogP1.08
Rot. Bonds7

About 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide

2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide (PubChem CID 75306073) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide
PubChem CID75306073
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1ccccc1OCc1cccnc1
InChIInChI=1S/C22H27N5O4/c28-21(12-19-25-20(13-22(29)26-19)27-8-10-30-11-9-27)24-17-5-1-2-6-18(17)31-15-16-4-3-7-23-14-16/h1-7,14,19-20,25H,8-13,15H2,(H,24,28)(H,26,29)
InChIKeyWSXAJBVSPKELKD-UHFFFAOYSA-N
XLogP1.08
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 73213027
3,4,5,6-Tetrahydro-2H-[1,4'']bipyridinyl-4-carboxylic acid [2-(3-carbamimidoyl-phenoxy)-ethyl]-amide
CID 44297775
N-[[2-(2-fluoroethoxy)-3-pyridinyl]methyl]-N-(2-phenoxyphenyl)acetamide
CID 58029252
2-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-N-(2-phenoxyphenyl)acetamide
CID 58029278
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 118123942
1-(2,5-Dimethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 5086943
1-(6-Ethoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-(2-methoxy-phenyl)-1-pyridin-3-ylmethyl-urea
CID 649587
1-(2-Ethoxy-phenyl)-5,5-bis-(2-pyridin-4-yl-ethyl)-pyrimidine-2,4,6-trione
CID 2918174
3-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 3236048
N-{2-[4-(2-Methoxyphenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}cyclohexanecarboxamide
CID 5310238
N-[3-(Dimethylamino)propyl]-N'-{2-[4-(2-methoxyphenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}ethanediamide
CID 16017419
4-(2,6-Dimethyl-3,4-dihydro-2H-1,4-benzoxazin-4-YL)-4-oxo-N-[(pyridin-3-YL)methyl]butanamide
CID 22512827

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide (CID 75306073) is 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide is O=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1ccccc1OCc1cccnc1.
What is the InChIKey of 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide?
The InChIKey is WSXAJBVSPKELKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c28-21(12-19-25-20(13-22(29)26-19)27-8-10-30-11-9-27)24-17-5-1-2-6-18(17)31-15-16-4-3-7-23-14-16/h1-7,14,19-20,25H,8-13,15H2,(H,24,28)(H,26,29).
What are the key properties of 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide?
2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide has a molecular weight of 425.49 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 75306073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).