N-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide

C22H23N3O2 — CID 22622628

IUPACN-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCCC3c4cc(C#N)ccc4OCC32)cc1
InChIInChI=1S/C22H23N3O2/c1-15(26)24-18-7-4-16(5-8-18)13-25-10-2-3-19-20-11-17(12-23)6-9-22(20)27-14-21(19)25/h4-9,11,19,21H,2-3,10,13-14H2,1H3,(H,24,26)
InChIKeySCIMWJGVHNYXOK-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.66
Rot. Bonds3

About N-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide

N-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide (PubChem CID 22622628) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide
PubChem CID22622628
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCCC3c4cc(C#N)ccc4OCC32)cc1
InChIInChI=1S/C22H23N3O2/c1-15(26)24-18-7-4-16(5-8-18)13-25-10-2-3-19-20-11-17(12-23)6-9-22(20)27-14-21(19)25/h4-9,11,19,21H,2-3,10,13-14H2,1H3,(H,24,26)
InChIKeySCIMWJGVHNYXOK-UHFFFAOYSA-N
XLogP3.66
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-33138
CID 9841864
N-[4-[2-[(3Ar,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethyl]phenyl]acetamide
CID 9820327
rel-N-[4-[2-[(3aS,9bR)-8-Cyano-1,3a,4,9b-tetrahydro[1]benzopyrano[3,4-c]pyrrol-2(3H)-yl]ethyl]phenyl]acetamide
CID 18702008
2-(4-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 5178598
N-[4-[[(3aR,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]methyl]phenyl]acetamide
CID 9841203
7-[4-(4-Methoxy-phenyl)-piperidin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one
CID 10498196
6-[4-(4-Methoxy-phenyl)-piperidin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one
CID 10545941
7-(4-p-Tolyl-piperidin-1-ylmethyl)-4H-benzo[1,4]oxazin-3-one
CID 10664621
7-[4-(3,4-Dimethyl-phenyl)-piperidin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one
CID 10807795
N-[4-[(8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl)methyl]phenyl]acetamide
CID 18702007
N-[4-[[(3aS,9bR)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]methyl]phenyl]acetamide
CID 44305123
6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 46926682

Frequently Asked Questions

What is the IUPAC name of N-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide (CID 22622628) is N-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCCC3c4cc(C#N)ccc4OCC32)cc1.
What is the InChIKey of N-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide?
The InChIKey is SCIMWJGVHNYXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(26)24-18-7-4-16(5-8-18)13-25-10-2-3-19-20-11-17(12-23)6-9-22(20)27-14-21(19)25/h4-9,11,19,21H,2-3,10,13-14H2,1H3,(H,24,26).
What are the key properties of N-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide?
N-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(9-cyano-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-4-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 22622628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).