N-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide

C29H32N4O2 — CID 67078858

IUPACN-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide
SMILESNc1ncccc1NC(=O)c1ccc(CNCCCCCOCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C29H32N4O2/c30-28-27(9-6-17-32-28)33-29(34)25-14-10-22(11-15-25)20-31-16-4-1-5-18-35-21-23-12-13-24-7-2-3-8-26(24)19-23/h2-3,6-15,17,19,31H,1,4-5,16,18,20-21H2,(H2,30,32)(H,33,34)
InChIKeyLBFIZRHYELAOHP-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.55
Rot. Bonds12

About N-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide

N-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide (PubChem CID 67078858) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide
PubChem CID67078858
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC NameN-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide
SMILESNc1ncccc1NC(=O)c1ccc(CNCCCCCOCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C29H32N4O2/c30-28-27(9-6-17-32-28)33-29(34)25-14-10-22(11-15-25)20-31-16-4-1-5-18-35-21-23-12-13-24-7-2-3-8-26(24)19-23/h2-3,6-15,17,19,31H,1,4-5,16,18,20-21H2,(H2,30,32)(H,33,34)
InChIKeyLBFIZRHYELAOHP-UHFFFAOYSA-N
XLogP5.55
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide
CID 67079175
N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide
CID 44595113
6-(naphthalen-2-ylmethoxy)hexan-1-amine
CID 86078826
N-(2-amino-3-pyridinyl)-4-[[(4-nitrophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594967
N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide
CID 67078760
N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide
CID 44594255
N-(2-amino-3-pyridinyl)-4-[[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]methyl]benzamide
CID 67078706
2-(octoxymethyl)naphthalene
CID 101192870
N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide
CID 24883370
2-naphthalen-2-yl-N-(3-phenylmethoxypropyl)acetamide
CID 41365702
N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide
CID 160785018
N-(2-aminophenyl)-4-naphthalen-2-yloxybenzamide
CID 10760610

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide?
The IUPAC name of N-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide (CID 67078858) is N-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide?
The canonical SMILES for N-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide is Nc1ncccc1NC(=O)c1ccc(CNCCCCCOCc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide?
The InChIKey is LBFIZRHYELAOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c30-28-27(9-6-17-32-28)33-29(34)25-14-10-22(11-15-25)20-31-16-4-1-5-18-35-21-23-12-13-24-7-2-3-8-26(24)19-23/h2-3,6-15,17,19,31H,1,4-5,16,18,20-21H2,(H2,30,32)(H,33,34).
What are the key properties of N-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide?
N-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide has a molecular weight of 468.60 g/mol, XLogP of 5.55, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-pyridinyl)-4-[[5-(naphthalen-2-ylmethoxy)pentylamino]methyl]benzamide is sourced from PubChem (CID 67078858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).