1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea

C18H21N3O2 — CID 43061406

IUPAC1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
SMILESCOc1cc(CNC(=O)NC(c2ccccc2)C2CC2)ccn1
InChIInChI=1S/C18H21N3O2/c1-23-16-11-13(9-10-19-16)12-20-18(22)21-17(15-7-8-15)14-5-3-2-4-6-14/h2-6,9-11,15,17H,7-8,12H2,1H3,(H2,20,21,22)
InChIKeyNCOMKWFDEOSXQS-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.04
Rot. Bonds6

About 1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea

1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea (PubChem CID 43061406) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
PubChem CID43061406
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
SMILESCOc1cc(CNC(=O)NC(c2ccccc2)C2CC2)ccn1
InChIInChI=1S/C18H21N3O2/c1-23-16-11-13(9-10-19-16)12-20-18(22)21-17(15-7-8-15)14-5-3-2-4-6-14/h2-6,9-11,15,17H,7-8,12H2,1H3,(H2,20,21,22)
InChIKeyNCOMKWFDEOSXQS-UHFFFAOYSA-N
XLogP3.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxy-4-pyridinyl)methyl]-3-(4-phenylbutan-2-yl)urea
CID 42891763
(2R)-2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 78919876
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535
1-[(S)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257538
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
CID 17460566
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815599
1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea
CID 166217162
(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide
CID 94052771
N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86919506
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 55142287

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The IUPAC name of 1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea (CID 43061406) is 1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea is COc1cc(CNC(=O)NC(c2ccccc2)C2CC2)ccn1.
What is the InChIKey of 1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The InChIKey is NCOMKWFDEOSXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-16-11-13(9-10-19-16)12-20-18(22)21-17(15-7-8-15)14-5-3-2-4-6-14/h2-6,9-11,15,17H,7-8,12H2,1H3,(H2,20,21,22).
What are the key properties of 1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea?
1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea has a molecular weight of 311.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea is sourced from PubChem (CID 43061406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).