3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzamide

C20H18N4O3 — CID 11639129

IUPAC3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzamide
SMILESNC(=O)c1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1
InChIInChI=1S/C20H18N4O3/c21-18(25)15-8-4-9-16(12-15)23-20(26)24-19-17(10-5-11-22-19)27-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,21,25)(H2,22,23,24,26)
InChIKeyRLBJUMUHKDTSCO-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.40
Rot. Bonds6

About 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzamide

3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzamide (PubChem CID 11639129) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzamide.

Molecular Properties

Compound Name3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzamide
PubChem CID11639129
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzamide
SMILESNC(=O)c1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1
InChIInChI=1S/C20H18N4O3/c21-18(25)15-8-4-9-16(12-15)23-20(26)24-19-17(10-5-11-22-19)27-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,21,25)(H2,22,23,24,26)
InChIKeyRLBJUMUHKDTSCO-UHFFFAOYSA-N
XLogP3.40
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzamide?
The IUPAC name of 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzamide (CID 11639129) is 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzamide.
What is the SMILES notation for 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzamide?
The canonical SMILES for 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzamide is NC(=O)c1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1.
What is the InChIKey of 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzamide?
The InChIKey is RLBJUMUHKDTSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c21-18(25)15-8-4-9-16(12-15)23-20(26)24-19-17(10-5-11-22-19)27-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,21,25)(H2,22,23,24,26).
What are the key properties of 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzamide?
3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzamide has a molecular weight of 362.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzamide is sourced from PubChem (CID 11639129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).