N-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide

C23H25N3O — CID 174615601

IUPACN-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide
SMILESCC(C)CCc1ccc(C(=O)Nc2cc(-c3ccccc3)cnc2N)cc1
InChIInChI=1S/C23H25N3O/c1-16(2)8-9-17-10-12-19(13-11-17)23(27)26-21-14-20(15-25-22(21)24)18-6-4-3-5-7-18/h3-7,10-16H,8-9H2,1-2H3,(H2,24,25)(H,26,27)
InChIKeyFUONCQVQAUWXJR-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.17
Rot. Bonds6

About N-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide

N-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide (PubChem CID 174615601) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide
PubChem CID174615601
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide
SMILESCC(C)CCc1ccc(C(=O)Nc2cc(-c3ccccc3)cnc2N)cc1
InChIInChI=1S/C23H25N3O/c1-16(2)8-9-17-10-12-19(13-11-17)23(27)26-21-14-20(15-25-22(21)24)18-6-4-3-5-7-18/h3-7,10-16H,8-9H2,1-2H3,(H2,24,25)(H,26,27)
InChIKeyFUONCQVQAUWXJR-UHFFFAOYSA-N
XLogP5.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide
CID 126722806
N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide
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N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
CID 25158263
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529
N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide
CID 25156531
N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide
CID 44595113
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide
CID 59627328
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide
CID 67078760
6-amino-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 62072779
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide?
The IUPAC name of N-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide (CID 174615601) is N-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide.
What is the SMILES notation for N-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide?
The canonical SMILES for N-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide is CC(C)CCc1ccc(C(=O)Nc2cc(-c3ccccc3)cnc2N)cc1.
What is the InChIKey of N-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide?
The InChIKey is FUONCQVQAUWXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16(2)8-9-17-10-12-19(13-11-17)23(27)26-21-14-20(15-25-22(21)24)18-6-4-3-5-7-18/h3-7,10-16H,8-9H2,1-2H3,(H2,24,25)(H,26,27).
What are the key properties of N-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide?
N-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide has a molecular weight of 359.47 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide is sourced from PubChem (CID 174615601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).