3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea

C18H21N3O3 — CID 95977707

IUPAC3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea
SMILESCOc1cccc2c1OC[C@H](NC(=O)N(C)Cc1ccncc1)C2
InChIInChI=1S/C18H21N3O3/c1-21(11-13-6-8-19-9-7-13)18(22)20-15-10-14-4-3-5-16(23-2)17(14)24-12-15/h3-9,15H,10-12H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyYVPKLJXRYWDMOJ-OAHLLOKOSA-N
MW327.38 g/mol
LogP2.24
Rot. Bonds4

About 3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea

3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea (PubChem CID 95977707) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea
PubChem CID95977707
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea
SMILESCOc1cccc2c1OC[C@H](NC(=O)N(C)Cc1ccncc1)C2
InChIInChI=1S/C18H21N3O3/c1-21(11-13-6-8-19-9-7-13)18(22)20-15-10-14-4-3-5-16(23-2)17(14)24-12-15/h3-9,15H,10-12H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyYVPKLJXRYWDMOJ-OAHLLOKOSA-N
XLogP2.24
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea 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

1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea
CID 56824790
3-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95322792
2-cyclopropyl-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-pyrrole-3-carboxamide
CID 126812603
(3S)-8-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97152035
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137222532
1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)carbamoyl]-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
CID 166300770
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396887
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396888
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1,2,4-triazol-1-yl)butanamide
CID 131930153
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
CID 56824753
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]thiomorpholine-4-carboxamide
CID 95977711
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
CID 131932776

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea (CID 95977707) is 3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea is COc1cccc2c1OC[C@H](NC(=O)N(C)Cc1ccncc1)C2.
What is the InChIKey of 3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea?
The InChIKey is YVPKLJXRYWDMOJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(11-13-6-8-19-9-7-13)18(22)20-15-10-14-4-3-5-16(23-2)17(14)24-12-15/h3-9,15H,10-12H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of 3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea?
3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea has a molecular weight of 327.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 95977707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).