N-benzyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]-1-phenylmethanamine

C20H22N4 — CID 130161547

IUPACN-benzyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]-1-phenylmethanamine
SMILESNNc1ccnc(CN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C20H22N4/c21-23-19-11-12-22-20(13-19)16-24(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13H,14-16,21H2,(H,22,23)
InChIKeyNQNPTFKVKYEVNO-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.57
Rot. Bonds7

About N-benzyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]-1-phenylmethanamine

N-benzyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]-1-phenylmethanamine (PubChem CID 130161547) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-benzyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]-1-phenylmethanamine
PubChem CID130161547
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN-benzyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]-1-phenylmethanamine
SMILESNNc1ccnc(CN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C20H22N4/c21-23-19-11-12-22-20(13-19)16-24(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13H,14-16,21H2,(H,22,23)
InChIKeyNQNPTFKVKYEVNO-UHFFFAOYSA-N
XLogP3.57
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]-1-phenylmethanamine (CID 130161547) is N-benzyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]-1-phenylmethanamine is NNc1ccnc(CN(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]-1-phenylmethanamine?
The InChIKey is NQNPTFKVKYEVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c21-23-19-11-12-22-20(13-19)16-24(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13H,14-16,21H2,(H,22,23).
What are the key properties of N-benzyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]-1-phenylmethanamine?
N-benzyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]-1-phenylmethanamine has a molecular weight of 318.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 130161547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).