1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea

C17H20N4O2 — CID 51082005

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea
SMILESCN(C)c1ccc(NC(=O)NC2CCOc3ccccc32)cn1
InChIInChI=1S/C17H20N4O2/c1-21(2)16-8-7-12(11-18-16)19-17(22)20-14-9-10-23-15-6-4-3-5-13(14)15/h3-8,11,14H,9-10H2,1-2H3,(H2,19,20,22)
InChIKeyJDIHIAXCYQOBDZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.79
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea

1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea (PubChem CID 51082005) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea
PubChem CID51082005
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea
SMILESCN(C)c1ccc(NC(=O)NC2CCOc3ccccc32)cn1
InChIInChI=1S/C17H20N4O2/c1-21(2)16-8-7-12(11-18-16)19-17(22)20-14-9-10-23-15-6-4-3-5-13(14)15/h3-8,11,14H,9-10H2,1-2H3,(H2,19,20,22)
InChIKeyJDIHIAXCYQOBDZ-UHFFFAOYSA-N
XLogP2.79
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea
CID 94177707
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]urea
CID 55695771
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 94165404
1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 62367144
methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate
CID 94152568
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea
CID 110866586
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 95266877
1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea
CID 71895001
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea
CID 110866006

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea (CID 51082005) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea is CN(C)c1ccc(NC(=O)NC2CCOc3ccccc32)cn1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea?
The InChIKey is JDIHIAXCYQOBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21(2)16-8-7-12(11-18-16)19-17(22)20-14-9-10-23-15-6-4-3-5-13(14)15/h3-8,11,14H,9-10H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea?
1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea has a molecular weight of 312.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea is sourced from PubChem (CID 51082005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).