N-[(4-chlorophenyl)methyl]-2-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide

C22H22ClN3O5 — CID 139979669

IUPACN-[(4-chlorophenyl)methyl]-2-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide
SMILESO=C(Cc1c(O)c2cc(CN3CCOCC3)ncc2oc1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O5/c23-15-3-1-14(2-4-15)11-25-20(27)10-18-21(28)17-9-16(13-26-5-7-30-8-6-26)24-12-19(17)31-22(18)29/h1-4,9,12,28H,5-8,10-11,13H2,(H,25,27)
InChIKeyBFSFRPRFFOMWTA-UHFFFAOYSA-N
MW443.89 g/mol
LogP2.24
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide (PubChem CID 139979669) has the molecular formula C22H22ClN3O5 and a molecular weight of 443.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide
PubChem CID139979669
Molecular FormulaC22H22ClN3O5
Molecular Weight443.89 g/mol
Exact Mass443.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide
SMILESO=C(Cc1c(O)c2cc(CN3CCOCC3)ncc2oc1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O5/c23-15-3-1-14(2-4-15)11-25-20(27)10-18-21(28)17-9-16(13-26-5-7-30-8-6-26)24-12-19(17)31-22(18)29/h1-4,9,12,28H,5-8,10-11,13H2,(H,25,27)
InChIKeyBFSFRPRFFOMWTA-UHFFFAOYSA-N
XLogP2.24
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-pyrido[3,4-c]pyridazin-3-yl]acetamide
CID 139979790
N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide
CID 139979679
N-[(4-chlorophenyl)methyl]-2-[3-(morpholin-4-ylmethyl)-6-oxopyrimido[1,2-a]pyrimidin-7-yl]acetamide
CID 139979754
N-[(4-chlorophenyl)methyl]-7-(morpholin-4-ylmethyl)-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide
CID 22397240
6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 18775293
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 24549586
1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306
N-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide
CID 10298033
N-[(4-chlorophenyl)methyl]-2-[3-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaen-10-yl]acetamide
CID 139979515
5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 29475175
N-benzyl-2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 167974239
4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55814806

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide (CID 139979669) is N-[(4-chlorophenyl)methyl]-2-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide is O=C(Cc1c(O)c2cc(CN3CCOCC3)ncc2oc1=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide?
The InChIKey is BFSFRPRFFOMWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5/c23-15-3-1-14(2-4-15)11-25-20(27)10-18-21(28)17-9-16(13-26-5-7-30-8-6-26)24-12-19(17)31-22(18)29/h1-4,9,12,28H,5-8,10-11,13H2,(H,25,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide has a molecular weight of 443.89 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 139979669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).