1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea

C17H20N4O2 — CID 94055209

IUPAC1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea
SMILESO=C(NCCNc1ccccn1)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C17H20N4O2/c22-17(20-11-10-19-16-7-3-4-9-18-16)21-14-8-12-23-15-6-2-1-5-13(14)15/h1-7,9,14H,8,10-12H2,(H,18,19)(H2,20,21,22)/t14-/m1/s1
InChIKeyMRMKOIZLUWJGCF-CQSZACIVSA-N
MW312.37 g/mol
LogP2.32
Rot. Bonds5

About 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea

1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea (PubChem CID 94055209) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea.

Molecular Properties

Compound Name1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea
PubChem CID94055209
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea
SMILESO=C(NCCNc1ccccn1)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C17H20N4O2/c22-17(20-11-10-19-16-7-3-4-9-18-16)21-14-8-12-23-15-6-2-1-5-13(14)15/h1-7,9,14H,8,10-12H2,(H,18,19)(H2,20,21,22)/t14-/m1/s1
InChIKeyMRMKOIZLUWJGCF-CQSZACIVSA-N
XLogP2.32
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea
CID 51957688
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea
CID 110866006
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936462
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94026794
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 110866066
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-phenylprop-2-ynyl)urea
CID 51077520
1-[(3S)-2-oxoazepan-3-yl]-3-[3-(pyridin-2-ylamino)propyl]urea
CID 94058400
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(3S)-1,1-dioxothiolan-3-yl]methyl]urea
CID 94021388
1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 53498052
N-(3,4-dihydro-2H-chromen-4-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62365931

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea?
The IUPAC name of 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea (CID 94055209) is 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea.
What is the SMILES notation for 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea?
The canonical SMILES for 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea is O=C(NCCNc1ccccn1)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea?
The InChIKey is MRMKOIZLUWJGCF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(20-11-10-19-16-7-3-4-9-18-16)21-14-8-12-23-15-6-2-1-5-13(14)15/h1-7,9,14H,8,10-12H2,(H,18,19)(H2,20,21,22)/t14-/m1/s1.
What are the key properties of 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea?
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea has a molecular weight of 312.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea is sourced from PubChem (CID 94055209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).