[3-(N-pyridin-2-ylanilino)propanoylamino] carbamate

C15H16N4O3 — CID 173080921

IUPAC[3-(N-pyridin-2-ylanilino)propanoylamino] carbamate
SMILESNC(=O)ONC(=O)CCN(c1ccccc1)c1ccccn1
InChIInChI=1S/C15H16N4O3/c16-15(21)22-18-14(20)9-11-19(12-6-2-1-3-7-12)13-8-4-5-10-17-13/h1-8,10H,9,11H2,(H2,16,21)(H,18,20)
InChIKeyQFWYTHVTLFCKDV-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.74
Rot. Bonds5

About [3-(N-pyridin-2-ylanilino)propanoylamino] carbamate

[3-(N-pyridin-2-ylanilino)propanoylamino] carbamate (PubChem CID 173080921) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is [3-(N-pyridin-2-ylanilino)propanoylamino] carbamate.

Molecular Properties

Compound Name[3-(N-pyridin-2-ylanilino)propanoylamino] carbamate
PubChem CID173080921
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name[3-(N-pyridin-2-ylanilino)propanoylamino] carbamate
SMILESNC(=O)ONC(=O)CCN(c1ccccc1)c1ccccn1
InChIInChI=1S/C15H16N4O3/c16-15(21)22-18-14(20)9-11-19(12-6-2-1-3-7-12)13-8-4-5-10-17-13/h1-8,10H,9,11H2,(H2,16,21)(H,18,20)
InChIKeyQFWYTHVTLFCKDV-UHFFFAOYSA-N
XLogP1.74
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-(N-pyridin-2-ylanilino)propanoylamino] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-oxo-3-(N-pyridin-2-ylanilino)propanoate
CID 135020038
ethyl N-phenyl-N-pyridin-2-ylcarbamate
CID 2783435
5-[3-amino-4-(methylamino)-N-pyridin-2-ylanilino]pentanoic acid
CID 174703078
4-(N-pyridin-2-ylanilino)benzamide
CID 123830429
N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide
CID 76944452
N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine
CID 43319000
ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate
CID 90348233
N,2-diphenyl-N-pyridin-2-ylacetamide
CID 24832254
methyl 2-[2-methylbutan-2-yloxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(N-pyridin-2-ylanilino)propanoate
CID 153102690
ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate
CID 90348242
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide
CID 145422995

Frequently Asked Questions

What is the IUPAC name of [3-(N-pyridin-2-ylanilino)propanoylamino] carbamate?
The IUPAC name of [3-(N-pyridin-2-ylanilino)propanoylamino] carbamate (CID 173080921) is [3-(N-pyridin-2-ylanilino)propanoylamino] carbamate.
What is the SMILES notation for [3-(N-pyridin-2-ylanilino)propanoylamino] carbamate?
The canonical SMILES for [3-(N-pyridin-2-ylanilino)propanoylamino] carbamate is NC(=O)ONC(=O)CCN(c1ccccc1)c1ccccn1.
What is the InChIKey of [3-(N-pyridin-2-ylanilino)propanoylamino] carbamate?
The InChIKey is QFWYTHVTLFCKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c16-15(21)22-18-14(20)9-11-19(12-6-2-1-3-7-12)13-8-4-5-10-17-13/h1-8,10H,9,11H2,(H2,16,21)(H,18,20).
What are the key properties of [3-(N-pyridin-2-ylanilino)propanoylamino] carbamate?
[3-(N-pyridin-2-ylanilino)propanoylamino] carbamate has a molecular weight of 300.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(N-pyridin-2-ylanilino)propanoylamino] carbamate is sourced from PubChem (CID 173080921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).