N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide

C22H23ClN4O3 — CID 139979679

IUPACN-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide
SMILESO=C(Cc1c[nH]c2cnc(CN3CCOCC3)cc2c1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O3/c23-17-3-1-15(2-4-17)11-26-21(28)9-16-12-25-20-13-24-18(10-19(20)22(16)29)14-27-5-7-30-8-6-27/h1-4,10,12-13H,5-9,11,14H2,(H,25,29)(H,26,28)
InChIKeyUNQVPBREQQGLOO-UHFFFAOYSA-N
MW426.90 g/mol
LogP2.27
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide (PubChem CID 139979679) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide
PubChem CID139979679
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide
SMILESO=C(Cc1c[nH]c2cnc(CN3CCOCC3)cc2c1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O3/c23-17-3-1-15(2-4-17)11-26-21(28)9-16-12-25-20-13-24-18(10-19(20)22(16)29)14-27-5-7-30-8-6-27/h1-4,10,12-13H,5-9,11,14H2,(H,25,29)(H,26,28)
InChIKeyUNQVPBREQQGLOO-UHFFFAOYSA-N
XLogP2.27
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[4-hydroxy-6-(morpholin-4-ylmethyl)-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide
CID 139979669
3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one
CID 142006200
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-(morpholin-4-ylmethyl)-6-oxopyrimido[1,2-a]pyrimidin-7-yl]acetamide
CID 139979754
2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 139979668
6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473163
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
N-[(4-chlorophenyl)methyl]-7-(morpholin-4-ylmethyl)-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide
CID 22397240
6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
CID 20583233
6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 18775293
N-[(4-chlorophenyl)methyl]-2-[3-(imidazol-1-ylmethyl)-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 139979560

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide (CID 139979679) is N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide is O=C(Cc1c[nH]c2cnc(CN3CCOCC3)cc2c1=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide?
The InChIKey is UNQVPBREQQGLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c23-17-3-1-15(2-4-17)11-26-21(28)9-16-12-25-20-13-24-18(10-19(20)22(16)29)14-27-5-7-30-8-6-27/h1-4,10,12-13H,5-9,11,14H2,(H,25,29)(H,26,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide has a molecular weight of 426.90 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide is sourced from PubChem (CID 139979679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).