4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine

C15H16N6 — CID 123651554

IUPAC4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine
SMILES[H]/N=C(\c1cccc(N)n1)c1cc(C(=CC)/C=N/[H])ncc1N
InChIInChI=1S/C15H16N6/c1-2-9(7-16)13-6-10(11(17)8-20-13)15(19)12-4-3-5-14(18)21-12/h2-8,16,19H,17H2,1H3,(H2,18,21)/b9-2?,16-7+,19-15-
InChIKeyDFSNAJPLAWRMDH-HEURDGIBSA-N
MW280.33 g/mol
LogP2.11
Rot. Bonds4

About 4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine

4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine (PubChem CID 123651554) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine
PubChem CID123651554
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine
SMILES[H]/N=C(\c1cccc(N)n1)c1cc(C(=CC)/C=N/[H])ncc1N
InChIInChI=1S/C15H16N6/c1-2-9(7-16)13-6-10(11(17)8-20-13)15(19)12-4-3-5-14(18)21-12/h2-8,16,19H,17H2,1H3,(H2,18,21)/b9-2?,16-7+,19-15-
InChIKeyDFSNAJPLAWRMDH-HEURDGIBSA-N
XLogP2.11
TPSA125.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one
CID 89412749
1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol
CID 89412710
4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine
CID 144529500
6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide
CID 134410100
1-[[2-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-3-iminopropylidene]amino]-2-methylpropan-2-ol
CID 123193138
4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine
CID 123997725
1-[6-[5-amino-2-(1-imino-3-methyliminopropan-2-yl)pyridine-4-carboximidoyl]-2-pyridinyl]azepan-3-amine
CID 123180691
6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine
CID 123749644
4-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 89412732
4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine
CID 144529735
6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine
CID 135254602
N-[6-[5-amino-2-(1-ethylimino-3-iminopropan-2-yl)pyridine-4-carboximidoyl]-2-pyridinyl]azepan-3-amine
CID 123722510

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine?
The IUPAC name of 4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine (CID 123651554) is 4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine.
What is the SMILES notation for 4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine?
The canonical SMILES for 4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine is [H]/N=C(\c1cccc(N)n1)c1cc(C(=CC)/C=N/[H])ncc1N.
What is the InChIKey of 4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine?
The InChIKey is DFSNAJPLAWRMDH-HEURDGIBSA-N. The full InChI is InChI=1S/C15H16N6/c1-2-9(7-16)13-6-10(11(17)8-20-13)15(19)12-4-3-5-14(18)21-12/h2-8,16,19H,17H2,1H3,(H2,18,21)/b9-2?,16-7+,19-15-.
What are the key properties of 4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine?
4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine has a molecular weight of 280.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine is sourced from PubChem (CID 123651554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).