(E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide

C12H14N4O — CID 126612003

IUPAC(E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide
SMILESC=C/N=C(\C)NC(=O)/C=C/c1ccc(N)nc1
InChIInChI=1S/C12H14N4O/c1-3-14-9(2)16-12(17)7-5-10-4-6-11(13)15-8-10/h3-8H,1H2,2H3,(H2,13,15)(H,14,16,17)/b7-5+
InChIKeyWYABZFKVQJHREE-FNORWQNLSA-N
MW230.27 g/mol
LogP1.36
Rot. Bonds3

About (E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide

(E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide (PubChem CID 126612003) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide
PubChem CID126612003
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide
SMILESC=C/N=C(\C)NC(=O)/C=C/c1ccc(N)nc1
InChIInChI=1S/C12H14N4O/c1-3-14-9(2)16-12(17)7-5-10-4-6-11(13)15-8-10/h3-8H,1H2,2H3,(H2,13,15)(H,14,16,17)/b7-5+
InChIKeyWYABZFKVQJHREE-FNORWQNLSA-N
XLogP1.36
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine
CID 123864550
(Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid
CID 95473874
tert-butyl carbamate;methyl (E)-3-(6-amino-3-pyridinyl)prop-2-enoate
CID 144636845
3-(6-acetyl-3-pyridinyl)prop-2-enoic acid
CID 169460546
5-[3-(methylamino)prop-1-enyl]pyridin-2-amine
CID 169473070
(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(5-ethenyl-2-pyridinyl)-1-benzofuran-3-yl]methyl]prop-2-enamide
CID 144770634
(E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide
CID 144811991
(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-formylphenyl)-7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]prop-2-enamide;methanol
CID 145107166
(E)-N-[[7-(5-acetylthiophen-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(6-amino-3-pyridinyl)prop-2-enamide
CID 90196164
(E)-3-(6-carbamoyl-3-pyridinyl)prop-2-enoic acid
CID 62958855
(E)-3-(3-amino-4-fluorophenyl)-N-prop-2-enylprop-2-enamide
CID 39244291
(E)-3-(6-amino-3-pyridinyl)-N-[[7-tert-butyl-5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 144770692

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide?
The IUPAC name of (E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide (CID 126612003) is (E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide?
The canonical SMILES for (E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide is C=C/N=C(\C)NC(=O)/C=C/c1ccc(N)nc1.
What is the InChIKey of (E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide?
The InChIKey is WYABZFKVQJHREE-FNORWQNLSA-N. The full InChI is InChI=1S/C12H14N4O/c1-3-14-9(2)16-12(17)7-5-10-4-6-11(13)15-8-10/h3-8H,1H2,2H3,(H2,13,15)(H,14,16,17)/b7-5+.
What are the key properties of (E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide?
(E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide has a molecular weight of 230.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide is sourced from PubChem (CID 126612003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).