3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide

C24H20N4O2 — CID 170002489

IUPAC3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide
SMILESCc1cc(Nc2cccc(C(=O)Nc3cc(Oc4ccccc4)ccn3)c2)ccn1
InChIInChI=1S/C24H20N4O2/c1-17-14-20(10-12-25-17)27-19-7-5-6-18(15-19)24(29)28-23-16-22(11-13-26-23)30-21-8-3-2-4-9-21/h2-16H,1H3,(H,25,27)(H,26,28,29)
InChIKeyXJUTWXADVAKRMZ-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.57
Rot. Bonds6

About 3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide

3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide (PubChem CID 170002489) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide
PubChem CID170002489
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide
SMILESCc1cc(Nc2cccc(C(=O)Nc3cc(Oc4ccccc4)ccn3)c2)ccn1
InChIInChI=1S/C24H20N4O2/c1-17-14-20(10-12-25-17)27-19-7-5-6-18(15-19)24(29)28-23-16-22(11-13-26-23)30-21-8-3-2-4-9-21/h2-16H,1H3,(H,25,27)(H,26,28,29)
InChIKeyXJUTWXADVAKRMZ-UHFFFAOYSA-N
XLogP5.57
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide
CID 157042670
4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide
CID 157044209
3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157042720
6-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
CID 157044292
3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide
CID 157042984
3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide
CID 157042727
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166834800
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157044269
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide
CID 58902443

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide?
The IUPAC name of 3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide (CID 170002489) is 3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide?
The canonical SMILES for 3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide is Cc1cc(Nc2cccc(C(=O)Nc3cc(Oc4ccccc4)ccn3)c2)ccn1.
What is the InChIKey of 3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide?
The InChIKey is XJUTWXADVAKRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-17-14-20(10-12-25-17)27-19-7-5-6-18(15-19)24(29)28-23-16-22(11-13-26-23)30-21-8-3-2-4-9-21/h2-16H,1H3,(H,25,27)(H,26,28,29).
What are the key properties of 3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide?
3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide has a molecular weight of 396.45 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide is sourced from PubChem (CID 170002489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).