1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea

C20H19N5O3 — CID 11675245

IUPAC1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESNC(=O)Nc1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1
InChIInChI=1S/C20H19N5O3/c21-19(26)23-15-8-4-9-16(12-15)24-20(27)25-18-17(10-5-11-22-18)28-13-14-6-2-1-3-7-14/h1-12H,13H2,(H3,21,23,26)(H2,22,24,25,27)
InChIKeyBBHQUPQETIOAOA-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.80
Rot. Bonds6

About 1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea

1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea (PubChem CID 11675245) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea
PubChem CID11675245
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESNC(=O)Nc1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1
InChIInChI=1S/C20H19N5O3/c21-19(26)23-15-8-4-9-16(12-15)24-20(27)25-18-17(10-5-11-22-18)28-13-14-6-2-1-3-7-14/h1-12H,13H2,(H3,21,23,26)(H2,22,24,25,27)
InChIKeyBBHQUPQETIOAOA-UHFFFAOYSA-N
XLogP3.80
TPSA118.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea?
The IUPAC name of 1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea (CID 11675245) is 1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea?
The canonical SMILES for 1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea is NC(=O)Nc1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1.
What is the InChIKey of 1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea?
The InChIKey is BBHQUPQETIOAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c21-19(26)23-15-8-4-9-16(12-15)24-20(27)25-18-17(10-5-11-22-18)28-13-14-6-2-1-3-7-14/h1-12H,13H2,(H3,21,23,26)(H2,22,24,25,27).
What are the key properties of 1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea?
1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea has a molecular weight of 377.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea is sourced from PubChem (CID 11675245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).