N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide

C18H20N4O3 — CID 95297981

IUPACN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide
SMILESO=C(CN1CCc2cncnc2C1)NC[C@H]1COc2ccccc2O1
InChIInChI=1S/C18H20N4O3/c23-18(10-22-6-5-13-7-19-12-21-15(13)9-22)20-8-14-11-24-16-3-1-2-4-17(16)25-14/h1-4,7,12,14H,5-6,8-11H2,(H,20,23)/t14-/m0/s1
InChIKeyZRLAHGQBODTDLL-AWEZNQCLSA-N
MW340.38 g/mol
LogP0.79
Rot. Bonds4

About N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide (PubChem CID 95297981) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide.

Molecular Properties

Compound NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide
PubChem CID95297981
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide
SMILESO=C(CN1CCc2cncnc2C1)NC[C@H]1COc2ccccc2O1
InChIInChI=1S/C18H20N4O3/c23-18(10-22-6-5-13-7-19-12-21-15(13)9-22)20-8-14-11-24-16-3-1-2-4-17(16)25-14/h1-4,7,12,14H,5-6,8-11H2,(H,20,23)/t14-/m0/s1
InChIKeyZRLAHGQBODTDLL-AWEZNQCLSA-N
XLogP0.79
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)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

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 87012320
N-(5-bromo-2-pyridinyl)-1-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 55922689
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18166181
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136692
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 18103292
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 126466969
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 7560395
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379967
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24648771
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 1251106
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 39975684

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide?
The IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide (CID 95297981) is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide.
What is the SMILES notation for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide?
The canonical SMILES for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide is O=C(CN1CCc2cncnc2C1)NC[C@H]1COc2ccccc2O1.
What is the InChIKey of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide?
The InChIKey is ZRLAHGQBODTDLL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-18(10-22-6-5-13-7-19-12-21-15(13)9-22)20-8-14-11-24-16-3-1-2-4-17(16)25-14/h1-4,7,12,14H,5-6,8-11H2,(H,20,23)/t14-/m0/s1.
What are the key properties of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide?
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide is sourced from PubChem (CID 95297981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).