1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea

C19H19N3O — CID 123313584

IUPAC1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea
SMILESCC(c1cccc2ccccc12)N(Cc1cccnc1)C(N)=O
InChIInChI=1S/C19H19N3O/c1-14(17-10-4-8-16-7-2-3-9-18(16)17)22(19(20)23)13-15-6-5-11-21-12-15/h2-12,14H,13H2,1H3,(H2,20,23)
InChIKeyFDEVIVUZSVHUJJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.88
Rot. Bonds4

About 1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea

1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea (PubChem CID 123313584) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea
PubChem CID123313584
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea
SMILESCC(c1cccc2ccccc12)N(Cc1cccnc1)C(N)=O
InChIInChI=1S/C19H19N3O/c1-14(17-10-4-8-16-7-2-3-9-18(16)17)22(19(20)23)13-15-6-5-11-21-12-15/h2-12,14H,13H2,1H3,(H2,20,23)
InChIKeyFDEVIVUZSVHUJJ-UHFFFAOYSA-N
XLogP3.88
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-(pyridin-3-ylmethyl)urea
CID 155026143
2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 53416962
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
(E)-4-oxo-4-[propan-2-yl(pyridin-3-ylmethyl)amino]but-2-enoic acid
CID 39350700
3-chloro-4-[(1S)-1-[(3-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]ethyl]benzamide
CID 166870479
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
(2S)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 61164190
3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 113307589
2-(methylamino)-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62636984
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 61174279
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927

Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea (CID 123313584) is 1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea is CC(c1cccc2ccccc12)N(Cc1cccnc1)C(N)=O.
What is the InChIKey of 1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea?
The InChIKey is FDEVIVUZSVHUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14(17-10-4-8-16-7-2-3-9-18(16)17)22(19(20)23)13-15-6-5-11-21-12-15/h2-12,14H,13H2,1H3,(H2,20,23).
What are the key properties of 1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea?
1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea has a molecular weight of 305.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 123313584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).