N-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide

C24H23N5O2 — CID 44571916

IUPACN-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C24H23N5O2/c1-15-7-8-18(12-20(15)23(31)29-19-9-10-21(26)27-13-19)28-22(30)16-5-4-6-17(11-16)24(2,3)14-25/h4-13H,1-3H3,(H2,26,27)(H,28,30)(H,29,31)
InChIKeySNPDKUQCEJYMKU-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.28
Rot. Bonds5

About N-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide

N-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide (PubChem CID 44571916) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide
PubChem CID44571916
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C24H23N5O2/c1-15-7-8-18(12-20(15)23(31)29-19-9-10-21(26)27-13-19)28-22(30)16-5-4-6-17(11-16)24(2,3)14-25/h4-13H,1-3H3,(H2,26,27)(H,28,30)(H,29,31)
InChIKeySNPDKUQCEJYMKU-UHFFFAOYSA-N
XLogP4.28
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide with MolForge

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Related Compounds

3-(2-(6-aminopyridin-3-yl)ethynyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16109023
N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide
CID 24812718
N-(2-amino-5-pyrimidinyl)-2-methyl-5-(((3-(trifluoromethyl)phenyl)carbonyl)amino)benzamide
CID 15950748
5-acetamido-2-methyl-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)benzamide
CID 16116849
Aminopyrimidine amide urea, 23a
CID 16118603
Unsubstituted pyrimidine amide, 37
CID 24824046
Blk-IN-1
CID 71519693
2-(Cyclobutylamino)-N-(4'-{[(cyclopropylmethyl)amino]carbonyl}-6-methyl-1,1'-biphenyl-3-yl)isonicotinamide
CID 44578748
5-{[3-(Dimethylamino)benzoyl]amino}-2-methyl-n-pyridin-3-ylbenzamide
CID 44571803
3-[2-(2-Methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]-1-(pyridin-3-YL)urea
CID 20924480
N3-(6-aminopyridin-3-yl)-N1-(3-cyclohexylpropyl)-4-methylisophthalamide
CID 44560641
3-[2-(6-acetamido-3-pyridinyl)ethynyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 46911110

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide (CID 44571916) is N-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide is Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1ccc(N)nc1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide?
The InChIKey is SNPDKUQCEJYMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15-7-8-18(12-20(15)23(31)29-19-9-10-21(26)27-13-19)28-22(30)16-5-4-6-17(11-16)24(2,3)14-25/h4-13H,1-3H3,(H2,26,27)(H,28,30)(H,29,31).
What are the key properties of N-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide?
N-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide has a molecular weight of 413.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide is sourced from PubChem (CID 44571916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).