4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzamide

C19H18N4O2 — CID 53312149

IUPAC4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc(N)c(-c3ccc(OC)nc3)c2)cc1
InChIInChI=1S/C19H18N4O2/c1-21-19(24)13-5-3-12(4-6-13)15-9-16(18(20)23-11-15)14-7-8-17(25-2)22-10-14/h3-11H,1-2H3,(H2,20,23)(H,21,24)
InChIKeyPTCFIURDTNELCW-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.76
Rot. Bonds4

About 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzamide

4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzamide (PubChem CID 53312149) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzamide
PubChem CID53312149
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc(N)c(-c3ccc(OC)nc3)c2)cc1
InChIInChI=1S/C19H18N4O2/c1-21-19(24)13-5-3-12(4-6-13)15-9-16(18(20)23-11-15)14-7-8-17(25-2)22-10-14/h3-11H,1-2H3,(H2,20,23)(H,21,24)
InChIKeyPTCFIURDTNELCW-UHFFFAOYSA-N
XLogP2.76
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzamide
CID 53312066
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
ROCK inhibitor-2
CID 51003130
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
N-(2-(4-(3-cyanopyridin-2-yl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 49788869
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
[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]phenyl]-morpholino-methanone
CID 53312150
4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]benzamide
CID 53312151
4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]benzoic acid
CID 53312152
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(3-hydroxypropyl)benzamide
CID 53312232
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(2-morpholinoethyl)benzamide
CID 53312237

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzamide?
The IUPAC name of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzamide (CID 53312149) is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzamide.
What is the SMILES notation for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzamide?
The canonical SMILES for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cnc(N)c(-c3ccc(OC)nc3)c2)cc1.
What is the InChIKey of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzamide?
The InChIKey is PTCFIURDTNELCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-21-19(24)13-5-3-12(4-6-13)15-9-16(18(20)23-11-15)14-7-8-17(25-2)22-10-14/h3-11H,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzamide?
4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzamide has a molecular weight of 334.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 53312149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).