2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide

C25H26N4O2 — CID 70883763

IUPAC2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2ccc(CN3CCC3)cc2)nc1
InChIInChI=1S/C25H26N4O2/c1-17-4-10-22(21(14-17)25(31)28-23-11-5-18(2)15-26-23)27-24(30)20-8-6-19(7-9-20)16-29-12-3-13-29/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,27,30)(H,26,28,31)
InChIKeyNXYAQRDRJRHQLE-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.41
Rot. Bonds6

About 2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide

2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 70883763) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID70883763
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2ccc(CN3CCC3)cc2)nc1
InChIInChI=1S/C25H26N4O2/c1-17-4-10-22(21(14-17)25(31)28-23-11-5-18(2)15-26-23)27-24(30)20-8-6-19(7-9-20)16-29-12-3-13-29/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,27,30)(H,26,28,31)
InChIKeyNXYAQRDRJRHQLE-UHFFFAOYSA-N
XLogP4.41
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 142082750
5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 59020840
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728187
tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate
CID 20747516
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
5-chloro-2-[[4-[[4,5-dihydro-1H-imidazol-2-yl(methyl)amino]methyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 71132806
5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 70670957
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide
CID 18728123
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide
CID 157471267
N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18138231
2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 41465528

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide (CID 70883763) is 2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2ccc(CN3CCC3)cc2)nc1.
What is the InChIKey of 2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is NXYAQRDRJRHQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-17-4-10-22(21(14-17)25(31)28-23-11-5-18(2)15-26-23)27-24(30)20-8-6-19(7-9-20)16-29-12-3-13-29/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,27,30)(H,26,28,31).
What are the key properties of 2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide?
2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 414.51 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 70883763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).