6-[3-[(1E,3Z)-4-amino-3-hydrazinylpenta-1,3-dienyl]phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine

C22H30N6 — CID 173470440

IUPAC6-[3-[(1E,3Z)-4-amino-3-hydrazinylpenta-1,3-dienyl]phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESC/C(N)=C(\C=C\c1cccc(-c2cccc(NCC3CCNCC3)n2)c1)NN
InChIInChI=1S/C22H30N6/c1-16(23)20(28-24)9-8-17-4-2-5-19(14-17)21-6-3-7-22(27-21)26-15-18-10-12-25-13-11-18/h2-9,14,18,25,28H,10-13,15,23-24H2,1H3,(H,26,27)/b9-8+,20-16-
InChIKeyWVIZAHYYDZRFMQ-ACCAXWRPSA-N
MW378.52 g/mol
LogP2.83
Rot. Bonds7

About 6-[3-[(1E,3Z)-4-amino-3-hydrazinylpenta-1,3-dienyl]phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine

6-[3-[(1E,3Z)-4-amino-3-hydrazinylpenta-1,3-dienyl]phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine (PubChem CID 173470440) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is 6-[3-[(1E,3Z)-4-amino-3-hydrazinylpenta-1,3-dienyl]phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[3-[(1E,3Z)-4-amino-3-hydrazinylpenta-1,3-dienyl]phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine
PubChem CID173470440
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC Name6-[3-[(1E,3Z)-4-amino-3-hydrazinylpenta-1,3-dienyl]phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESC/C(N)=C(\C=C\c1cccc(-c2cccc(NCC3CCNCC3)n2)c1)NN
InChIInChI=1S/C22H30N6/c1-16(23)20(28-24)9-8-17-4-2-5-19(14-17)21-6-3-7-22(27-21)26-15-18-10-12-25-13-11-18/h2-9,14,18,25,28H,10-13,15,23-24H2,1H3,(H,26,27)/b9-8+,20-16-
InChIKeyWVIZAHYYDZRFMQ-ACCAXWRPSA-N
XLogP2.83
TPSA101.02 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(1E,3Z)-4-amino-3-hydrazinylpenta-1,3-dienyl]phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-[3-[(1E,3Z)-4-amino-3-hydrazinylpenta-1,3-dienyl]phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine (CID 173470440) is 6-[3-[(1E,3Z)-4-amino-3-hydrazinylpenta-1,3-dienyl]phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-[3-[(1E,3Z)-4-amino-3-hydrazinylpenta-1,3-dienyl]phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-[3-[(1E,3Z)-4-amino-3-hydrazinylpenta-1,3-dienyl]phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine is C/C(N)=C(\C=C\c1cccc(-c2cccc(NCC3CCNCC3)n2)c1)NN.
What is the InChIKey of 6-[3-[(1E,3Z)-4-amino-3-hydrazinylpenta-1,3-dienyl]phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The InChIKey is WVIZAHYYDZRFMQ-ACCAXWRPSA-N. The full InChI is InChI=1S/C22H30N6/c1-16(23)20(28-24)9-8-17-4-2-5-19(14-17)21-6-3-7-22(27-21)26-15-18-10-12-25-13-11-18/h2-9,14,18,25,28H,10-13,15,23-24H2,1H3,(H,26,27)/b9-8+,20-16-.
What are the key properties of 6-[3-[(1E,3Z)-4-amino-3-hydrazinylpenta-1,3-dienyl]phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine?
6-[3-[(1E,3Z)-4-amino-3-hydrazinylpenta-1,3-dienyl]phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine has a molecular weight of 378.52 g/mol, XLogP of 2.83, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(1E,3Z)-4-amino-3-hydrazinylpenta-1,3-dienyl]phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 173470440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).