1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea

C15H20N4O2 — CID 94026735

IUPAC1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
SMILESCc1ccc([C@H](C)NC(=O)NCCNc2ccccn2)o1
InChIInChI=1S/C15H20N4O2/c1-11-6-7-13(21-11)12(2)19-15(20)18-10-9-17-14-5-3-4-8-16-14/h3-8,12H,9-10H2,1-2H3,(H,16,17)(H2,18,19,20)/t12-/m0/s1
InChIKeyYCCQVXJAOGYMGK-LBPRGKRZSA-N
MW288.35 g/mol
LogP2.46
Rot. Bonds6

About 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea

1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea (PubChem CID 94026735) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
PubChem CID94026735
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
SMILESCc1ccc([C@H](C)NC(=O)NCCNc2ccccn2)o1
InChIInChI=1S/C15H20N4O2/c1-11-6-7-13(21-11)12(2)19-15(20)18-10-9-17-14-5-3-4-8-16-14/h3-8,12H,9-10H2,1-2H3,(H,16,17)(H2,18,19,20)/t12-/m0/s1
InChIKeyYCCQVXJAOGYMGK-LBPRGKRZSA-N
XLogP2.46
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.46
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-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 51083709
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94028479
1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94028469
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193
2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid
CID 104686399
methyl 7-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]heptanoate
CID 86993788
1-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(pyridin-2-ylamino)propyl]urea
CID 112831895
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 94027153
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94163440
N-[1-(5-methylfuran-2-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62174202
1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 51091264
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 94671546

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea?
The IUPAC name of 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea (CID 94026735) is 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea.
What is the SMILES notation for 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea?
The canonical SMILES for 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea is Cc1ccc([C@H](C)NC(=O)NCCNc2ccccn2)o1.
What is the InChIKey of 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea?
The InChIKey is YCCQVXJAOGYMGK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-6-7-13(21-11)12(2)19-15(20)18-10-9-17-14-5-3-4-8-16-14/h3-8,12H,9-10H2,1-2H3,(H,16,17)(H2,18,19,20)/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea?
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea has a molecular weight of 288.35 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea is sourced from PubChem (CID 94026735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).