N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-methyl-2-pyridinyl]benzamide

C23H24N4O — CID 11675152

IUPACN-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-methyl-2-pyridinyl]benzamide
SMILESCc1cc(CN2CCC2)cnc1-c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C23H24N4O/c1-16-13-17(15-27-11-4-12-27)14-25-22(16)18-7-9-19(10-8-18)23(28)26-21-6-3-2-5-20(21)24/h2-3,5-10,13-14H,4,11-12,15,24H2,1H3,(H,26,28)
InChIKeyYMHZFVXMJBMNAT-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.10
Rot. Bonds5

About N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-methyl-2-pyridinyl]benzamide

N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-methyl-2-pyridinyl]benzamide (PubChem CID 11675152) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-methyl-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-methyl-2-pyridinyl]benzamide
PubChem CID11675152
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-methyl-2-pyridinyl]benzamide
SMILESCc1cc(CN2CCC2)cnc1-c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C23H24N4O/c1-16-13-17(15-27-11-4-12-27)14-25-22(16)18-7-9-19(10-8-18)23(28)26-21-6-3-2-5-20(21)24/h2-3,5-10,13-14H,4,11-12,15,24H2,1H3,(H,26,28)
InChIKeyYMHZFVXMJBMNAT-UHFFFAOYSA-N
XLogP4.10
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-cyanopyridin-2-yl]benzamide
CID 11589054
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CID 11710573
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CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
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CID 84517
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-methyl-2-pyridinyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-methyl-2-pyridinyl]benzamide (CID 11675152) is N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-methyl-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-methyl-2-pyridinyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-methyl-2-pyridinyl]benzamide is Cc1cc(CN2CCC2)cnc1-c1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-methyl-2-pyridinyl]benzamide?
The InChIKey is YMHZFVXMJBMNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-13-17(15-27-11-4-12-27)14-25-22(16)18-7-9-19(10-8-18)23(28)26-21-6-3-2-5-20(21)24/h2-3,5-10,13-14H,4,11-12,15,24H2,1H3,(H,26,28).
What are the key properties of N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-methyl-2-pyridinyl]benzamide?
N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-methyl-2-pyridinyl]benzamide has a molecular weight of 372.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-methyl-2-pyridinyl]benzamide is sourced from PubChem (CID 11675152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).