1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea

C18H22N4O — CID 126783772

IUPAC1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea
SMILESCN(C)c1ccc(NC(=O)NC2(c3ccccc3)CCC2)nc1
InChIInChI=1S/C18H22N4O/c1-22(2)15-9-10-16(19-13-15)20-17(23)21-18(11-6-12-18)14-7-4-3-5-8-14/h3-5,7-10,13H,6,11-12H2,1-2H3,(H2,19,20,21,23)
InChIKeyAZKMITPUJNXYNS-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.35
Rot. Bonds4

About 1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea

1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea (PubChem CID 126783772) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea.

Molecular Properties

Compound Name1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea
PubChem CID126783772
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea
SMILESCN(C)c1ccc(NC(=O)NC2(c3ccccc3)CCC2)nc1
InChIInChI=1S/C18H22N4O/c1-22(2)15-9-10-16(19-13-15)20-17(23)21-18(11-6-12-18)14-7-4-3-5-8-14/h3-5,7-10,13H,6,11-12H2,1-2H3,(H2,19,20,21,23)
InChIKeyAZKMITPUJNXYNS-UHFFFAOYSA-N
XLogP3.35
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea
CID 110469555
1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113031703
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284
1,1-dimethyl-3-(1-phenylcyclopropyl)urea
CID 11217964
(1S)-2,2-dichloro-N-[5-(dimethylamino)-2-pyridinyl]-1-methylcyclopropane-1-carboxamide
CID 94218590
2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid
CID 110490888
1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea
CID 110676420
1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 99840101
1-(1-phenylcyclopentyl)-3-(1H-pyrazol-5-yl)urea
CID 110469840
(2R,3R)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95156221
1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469255
2-amino-N-[5-(dimethylamino)-2-pyridinyl]-2-methylpropanamide;dihydrochloride
CID 119863152

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea?
The IUPAC name of 1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea (CID 126783772) is 1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea.
What is the SMILES notation for 1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea?
The canonical SMILES for 1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea is CN(C)c1ccc(NC(=O)NC2(c3ccccc3)CCC2)nc1.
What is the InChIKey of 1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea?
The InChIKey is AZKMITPUJNXYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-22(2)15-9-10-16(19-13-15)20-17(23)21-18(11-6-12-18)14-7-4-3-5-8-14/h3-5,7-10,13H,6,11-12H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea?
1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea has a molecular weight of 310.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea is sourced from PubChem (CID 126783772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).