3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide

C24H28N4O2 — CID 58238282

IUPAC3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide
SMILESCOc1cccc(-c2cc(-c3cccc(C(=O)NC(C)CN(C)C)c3)cnc2N)c1
InChIInChI=1S/C24H28N4O2/c1-16(15-28(2)3)27-24(29)19-9-5-7-17(11-19)20-13-22(23(25)26-14-20)18-8-6-10-21(12-18)30-4/h5-14,16H,15H2,1-4H3,(H2,25,26)(H,27,29)
InChIKeyAKANNZXWIAGGMT-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.69
Rot. Bonds7

About 3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide

3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide (PubChem CID 58238282) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide
PubChem CID58238282
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide
SMILESCOc1cccc(-c2cc(-c3cccc(C(=O)NC(C)CN(C)C)c3)cnc2N)c1
InChIInChI=1S/C24H28N4O2/c1-16(15-28(2)3)27-24(29)19-9-5-7-17(11-19)20-13-22(23(25)26-14-20)18-8-6-10-21(12-18)30-4/h5-14,16H,15H2,1-4H3,(H2,25,26)(H,27,29)
InChIKeyAKANNZXWIAGGMT-UHFFFAOYSA-N
XLogP3.69
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 58238273
3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25107397
N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide
CID 70821312
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide
CID 82945494
3-[6-amino-5-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25107400
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
CID 146208984
3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 163802313
5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 58833104
3-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 24821159
3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium
CID 58176191

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide?
The IUPAC name of 3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide (CID 58238282) is 3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide.
What is the SMILES notation for 3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide?
The canonical SMILES for 3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide is COc1cccc(-c2cc(-c3cccc(C(=O)NC(C)CN(C)C)c3)cnc2N)c1.
What is the InChIKey of 3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide?
The InChIKey is AKANNZXWIAGGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-16(15-28(2)3)27-24(29)19-9-5-7-17(11-19)20-13-22(23(25)26-14-20)18-8-6-10-21(12-18)30-4/h5-14,16H,15H2,1-4H3,(H2,25,26)(H,27,29).
What are the key properties of 3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide?
3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide has a molecular weight of 404.51 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide is sourced from PubChem (CID 58238282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).