3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide

C19H22N4O3 — CID 120799452

IUPAC3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide
SMILESNC(C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1)C1CCOCC1
InChIInChI=1S/C19H22N4O3/c20-17(13-7-10-26-11-8-13)19(25)22-15-5-3-4-14(12-15)18(24)23-16-6-1-2-9-21-16/h1-6,9,12-13,17H,7-8,10-11,20H2,(H,22,25)(H,21,23,24)
InChIKeyUFIOQCGKCCLQIF-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.03
Rot. Bonds5

About 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide

3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide (PubChem CID 120799452) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide
PubChem CID120799452
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide
SMILESNC(C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1)C1CCOCC1
InChIInChI=1S/C19H22N4O3/c20-17(13-7-10-26-11-8-13)19(25)22-15-5-3-4-14(12-15)18(24)23-16-6-1-2-9-21-16/h1-6,9,12-13,17H,7-8,10-11,20H2,(H,22,25)(H,21,23,24)
InChIKeyUFIOQCGKCCLQIF-UHFFFAOYSA-N
XLogP2.03
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide (CID 120799452) is 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide is NC(C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1)C1CCOCC1.
What is the InChIKey of 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide?
The InChIKey is UFIOQCGKCCLQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c20-17(13-7-10-26-11-8-13)19(25)22-15-5-3-4-14(12-15)18(24)23-16-6-1-2-9-21-16/h1-6,9,12-13,17H,7-8,10-11,20H2,(H,22,25)(H,21,23,24).
What are the key properties of 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide?
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 120799452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).