4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

C24H27N5O2 — CID 53312321

IUPAC4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCOc1ccc(-c2cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cnc2N)cn1
InChIInChI=1S/C24H27N5O2/c1-31-22-9-8-19(15-27-22)21-14-20(16-28-23(21)25)17-4-6-18(7-5-17)24(30)26-10-13-29-11-2-3-12-29/h4-9,14-16H,2-3,10-13H2,1H3,(H2,25,28)(H,26,30)
InChIKeyPMYWJGIXWJWPFZ-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.23
Rot. Bonds7

About 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 53312321) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID53312321
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCOc1ccc(-c2cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cnc2N)cn1
InChIInChI=1S/C24H27N5O2/c1-31-22-9-8-19(15-27-22)21-14-20(16-28-23(21)25)17-4-6-18(7-5-17)24(30)26-10-13-29-11-2-3-12-29/h4-9,14-16H,2-3,10-13H2,1H3,(H2,25,28)(H,26,30)
InChIKeyPMYWJGIXWJWPFZ-UHFFFAOYSA-N
XLogP3.23
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzamide
CID 53312066
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
1-(3,5-Dimethyl-4-methoxybenzoyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine
CID 455376
N-Benzyl-6-[(3-Endo)-3-{[(3-Methoxy-2-Methylphenyl)carbonyl]amino}-8-Azabicyclo[3.2.1]oct-8-Yl]pyridine-3-Carboxamide
CID 60147025
N-(2-(4-(3-cyanopyridin-2-yl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 49788869
N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide
CID 11639248
[4-(4-Methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950864
6-amino-N-(1-(3-ethoxy-4-methylbenzyl)piperidin-4-yl)nicotinamide
CID 49862887
[4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 53311068
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzamide
CID 53312149
[4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]phenyl]-morpholino-methanone
CID 53312150

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 53312321) is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is COc1ccc(-c2cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cnc2N)cn1.
What is the InChIKey of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is PMYWJGIXWJWPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-31-22-9-8-19(15-27-22)21-14-20(16-28-23(21)25)17-4-6-18(7-5-17)24(30)26-10-13-29-11-2-3-12-29/h4-9,14-16H,2-3,10-13H2,1H3,(H2,25,28)(H,26,30).
What are the key properties of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 53312321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).