1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea

C17H19N3O4 — CID 136585704

IUPAC1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea
SMILESCOc1cc(NC(=O)N[C@H]2c3ccccc3OC[C@H]2CO)ccn1
InChIInChI=1S/C17H19N3O4/c1-23-15-8-12(6-7-18-15)19-17(22)20-16-11(9-21)10-24-14-5-3-2-4-13(14)16/h2-8,11,16,21H,9-10H2,1H3,(H2,18,19,20,22)/t11-,16-/m1/s1
InChIKeySXHHTVNCWNERGF-BDJLRTHQSA-N
MW329.36 g/mol
LogP1.95
Rot. Bonds4

About 1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea

1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea (PubChem CID 136585704) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea
PubChem CID136585704
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea
SMILESCOc1cc(NC(=O)N[C@H]2c3ccccc3OC[C@H]2CO)ccn1
InChIInChI=1S/C17H19N3O4/c1-23-15-8-12(6-7-18-15)19-17(22)20-16-11(9-21)10-24-14-5-3-2-4-13(14)16/h2-8,11,16,21H,9-10H2,1H3,(H2,18,19,20,22)/t11-,16-/m1/s1
InChIKeySXHHTVNCWNERGF-BDJLRTHQSA-N
XLogP1.95
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea with MolForge

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Related Compounds

[(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol
CID 136586100
2-methoxy-N-(2-methoxy-4-pyridinyl)acetamide
CID 130524601
1-[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3-quinoxalin-5-ylurea
CID 166399646
methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate
CID 94152568
1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea
CID 94828669
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea
CID 166209123
1-[(1S)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea
CID 97086301
methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate
CID 114283843
1-(2-methoxy-4-pyridinyl)-3-[5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]urea
CID 123599621
(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 64814696
1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea
CID 97331934

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea?
The IUPAC name of 1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea (CID 136585704) is 1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea.
What is the SMILES notation for 1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea?
The canonical SMILES for 1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea is COc1cc(NC(=O)N[C@H]2c3ccccc3OC[C@H]2CO)ccn1.
What is the InChIKey of 1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea?
The InChIKey is SXHHTVNCWNERGF-BDJLRTHQSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-23-15-8-12(6-7-18-15)19-17(22)20-16-11(9-21)10-24-14-5-3-2-4-13(14)16/h2-8,11,16,21H,9-10H2,1H3,(H2,18,19,20,22)/t11-,16-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea?
1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea has a molecular weight of 329.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxy-4-pyridinyl)urea is sourced from PubChem (CID 136585704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).