N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide

C30H32N6O3 — CID 16108981

IUPACN-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide
SMILESCC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3CCCCC3)OC)OC4=C(C=CC=N4)C5=NC(=NC=N5)NC
InChIInChI=1S/C30H32N6O3/c1-19-11-12-22(28(37)35-24-16-21(13-14-25(24)38-3)20-8-5-4-6-9-20)17-26(19)39-29-23(10-7-15-32-29)27-33-18-34-30(31-2)36-27/h7,10-18,20H,4-6,8-9H2,1-3H3,(H,35,37)(H,31,33,34,36)
InChIKeyMPHMTTDYJZMQAN-UHFFFAOYSA-N
MW524.60 g/mol
LogP6.50
Rot. Bonds8

About N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide

N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide (PubChem CID 16108981) has the molecular formula C30H32N6O3 and a molecular weight of 524.60 g/mol. Its IUPAC name is N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
PubChem CID16108981
Molecular FormulaC30H32N6O3
Molecular Weight524.60 g/mol
Exact Mass524.25
IUPAC NameN-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide
SMILESCC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3CCCCC3)OC)OC4=C(C=CC=N4)C5=NC(=NC=N5)NC
InChIInChI=1S/C30H32N6O3/c1-19-11-12-22(28(37)35-24-16-21(13-14-25(24)38-3)20-8-5-4-6-9-20)17-26(19)39-29-23(10-7-15-32-29)27-33-18-34-30(31-2)36-27/h7,10-18,20H,4-6,8-9H2,1-3H3,(H,35,37)(H,31,33,34,36)
InChIKeyMPHMTTDYJZMQAN-UHFFFAOYSA-N
XLogP6.50
TPSA111.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity767

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.60
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108977
4-Methyl-3-({3-[2-(Methylamino)pyrimidin-4-Yl]pyridin-2-Yl}oxy)-N-[2-Morpholin-4-Yl-5-(Trifluoromethyl)phenyl]benzamide
CID 16040290
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
N-(2-methoxy-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108988
4-methyl-N-(2-morpholino-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108990
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108991
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(2-(methylamino)pyridin-4-yl)pyridin-2-yloxy)benzamide
CID 16108992
4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 16108998
N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
CID 16108999
N-(2-((3-(Dimethylamino)propyl)(methyl)amino)-5-isopropylphenyl)2-fluoro-5-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
CID 16109002
N-(5-cyclopropyl-2-((3-(dimethylamino)propyl)(methyl)amino)phenyl)-2-fluoro-5-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
CID 16109003

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide?
The IUPAC name of N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide (CID 16108981) is N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide?
The canonical SMILES for N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide is CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3CCCCC3)OC)OC4=C(C=CC=N4)C5=NC(=NC=N5)NC.
What is the InChIKey of N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide?
The InChIKey is MPHMTTDYJZMQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O3/c1-19-11-12-22(28(37)35-24-16-21(13-14-25(24)38-3)20-8-5-4-6-9-20)17-26(19)39-29-23(10-7-15-32-29)27-33-18-34-30(31-2)36-27/h7,10-18,20H,4-6,8-9H2,1-3H3,(H,35,37)(H,31,33,34,36).
What are the key properties of N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide?
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide has a molecular weight of 524.60 g/mol, XLogP of 6.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide is sourced from PubChem (CID 16108981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).