[5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid

C14H13N3O2 — CID 66881105

IUPAC[5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid
SMILESNc1cccc(C=Cc2cncc(NC(=O)O)c2)c1
InChIInChI=1S/C14H13N3O2/c15-12-3-1-2-10(6-12)4-5-11-7-13(9-16-8-11)17-14(18)19/h1-9,17H,15H2,(H,18,19)
InChIKeyAPABHJUFDBIZCF-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.92
Rot. Bonds3

About [5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid

[5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid (PubChem CID 66881105) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid
PubChem CID66881105
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name[5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid
SMILESNc1cccc(C=Cc2cncc(NC(=O)O)c2)c1
InChIInChI=1S/C14H13N3O2/c15-12-3-1-2-10(6-12)4-5-11-7-13(9-16-8-11)17-14(18)19/h1-9,17H,15H2,(H,18,19)
InChIKeyAPABHJUFDBIZCF-UHFFFAOYSA-N
XLogP2.92
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamate
CID 76675786
3-[(E)-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethenyl]aniline
CID 54756481
3-[(Z)-2-pyridin-3-ylethenyl]aniline
CID 101109294
5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide
CID 135215453
(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 115342702
aniline;phenylcarbamic acid
CID 173402321
N-(5-amino-3-pyridinyl)acetamide
CID 69179532
(E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide
CID 115344816
(E)-3-(3-aminophenyl)-2-methylprop-2-enoic acid
CID 15103268
3-[2-(2-methylphenyl)ethenyl]aniline
CID 86115385
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]acetic acid
CID 115343485
[5-(6-amino-3-pyridinyl)-3-pyridinyl]carbamic acid
CID 118165553

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid?
The IUPAC name of [5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid (CID 66881105) is [5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid.
What is the SMILES notation for [5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid?
The canonical SMILES for [5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid is Nc1cccc(C=Cc2cncc(NC(=O)O)c2)c1.
What is the InChIKey of [5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid?
The InChIKey is APABHJUFDBIZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-12-3-1-2-10(6-12)4-5-11-7-13(9-16-8-11)17-14(18)19/h1-9,17H,15H2,(H,18,19).
What are the key properties of [5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid?
[5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid has a molecular weight of 255.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid is sourced from PubChem (CID 66881105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).