N-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide

C15H14N4O — CID 174180011

IUPACN-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide
SMILES[H]/N=C(/c1ccnc(NC(=O)C=C)c1)c1ccccc1N
InChIInChI=1S/C15H14N4O/c1-2-14(20)19-13-9-10(7-8-18-13)15(17)11-5-3-4-6-12(11)16/h2-9,17H,1,16H2,(H,18,19,20)/b17-15-
InChIKeyIMQDNBPWEZOQTG-ICFOKQHNSA-N
MW266.30 g/mol
LogP2.20
Rot. Bonds4

About N-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide

N-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide (PubChem CID 174180011) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide
PubChem CID174180011
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide
SMILES[H]/N=C(/c1ccnc(NC(=O)C=C)c1)c1ccccc1N
InChIInChI=1S/C15H14N4O/c1-2-14(20)19-13-9-10(7-8-18-13)15(17)11-5-3-4-6-12(11)16/h2-9,17H,1,16H2,(H,18,19,20)/b17-15-
InChIKeyIMQDNBPWEZOQTG-ICFOKQHNSA-N
XLogP2.20
TPSA91.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide?
The IUPAC name of N-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide (CID 174180011) is N-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide is [H]/N=C(/c1ccnc(NC(=O)C=C)c1)c1ccccc1N.
What is the InChIKey of N-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide?
The InChIKey is IMQDNBPWEZOQTG-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-14(20)19-13-9-10(7-8-18-13)15(17)11-5-3-4-6-12(11)16/h2-9,17H,1,16H2,(H,18,19,20)/b17-15-.
What are the key properties of N-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide?
N-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide has a molecular weight of 266.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminobenzenecarboximidoyl)-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 174180011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).