4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide

C31H34N4O2 — CID 67078852

IUPAC4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide
SMILESCCCCC(OCc1ccc(-c2ccccc2)cc1)C(N)c1ccc(C(=O)Nc2cccnc2N)cc1
InChIInChI=1S/C31H34N4O2/c1-2-3-11-28(37-21-22-12-14-24(15-13-22)23-8-5-4-6-9-23)29(32)25-16-18-26(19-17-25)31(36)35-27-10-7-20-34-30(27)33/h4-10,12-20,28-29H,2-3,11,21,32H2,1H3,(H2,33,34)(H,35,36)
InChIKeyXFAGKJXEWZTQEZ-UHFFFAOYSA-N
MW494.64 g/mol
LogP6.36
Rot. Bonds11

About 4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide

4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide (PubChem CID 67078852) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide
PubChem CID67078852
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC Name4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide
SMILESCCCCC(OCc1ccc(-c2ccccc2)cc1)C(N)c1ccc(C(=O)Nc2cccnc2N)cc1
InChIInChI=1S/C31H34N4O2/c1-2-3-11-28(37-21-22-12-14-24(15-13-22)23-8-5-4-6-9-23)29(32)25-16-18-26(19-17-25)31(36)35-27-10-7-20-34-30(27)33/h4-10,12-20,28-29H,2-3,11,21,32H2,1H3,(H2,33,34)(H,35,36)
InChIKeyXFAGKJXEWZTQEZ-UHFFFAOYSA-N
XLogP6.36
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 56.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide
CID 44595113
4-[1-amino-2-[(4-methoxyphenyl)methoxy]hexyl]benzoic acid
CID 67079434
N-[2-[[4-(4-methylphenyl)phenyl]methoxy]-3-pyridinyl]benzamide
CID 140808958
N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide
CID 126722806
N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide
CID 67078760
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide
CID 67079175
N-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide
CID 174615601
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide
CID 44594255
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate
CID 91362734

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide?
The IUPAC name of 4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide (CID 67078852) is 4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide.
What is the SMILES notation for 4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide?
The canonical SMILES for 4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide is CCCCC(OCc1ccc(-c2ccccc2)cc1)C(N)c1ccc(C(=O)Nc2cccnc2N)cc1.
What is the InChIKey of 4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide?
The InChIKey is XFAGKJXEWZTQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-2-3-11-28(37-21-22-12-14-24(15-13-22)23-8-5-4-6-9-23)29(32)25-16-18-26(19-17-25)31(36)35-27-10-7-20-34-30(27)33/h4-10,12-20,28-29H,2-3,11,21,32H2,1H3,(H2,33,34)(H,35,36).
What are the key properties of 4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide?
4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide has a molecular weight of 494.64 g/mol, XLogP of 6.36, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[(4-phenylphenyl)methoxy]hexyl]-N-(2-amino-3-pyridinyl)benzamide is sourced from PubChem (CID 67078852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).