2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide

C20H23N3O3 — CID 119047422

IUPAC2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOC1(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)CCC1
InChIInChI=1S/C20H23N3O3/c1-26-20(9-5-10-20)12-18(24)23-17-8-3-2-7-16(17)19(25)22-14-15-6-4-11-21-13-15/h2-4,6-8,11,13H,5,9-10,12,14H2,1H3,(H,22,25)(H,23,24)
InChIKeyCOUAXPNZRXPNON-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.91
Rot. Bonds7

About 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide

2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 119047422) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID119047422
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOC1(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)CCC1
InChIInChI=1S/C20H23N3O3/c1-26-20(9-5-10-20)12-18(24)23-17-8-3-2-7-16(17)19(25)22-14-15-6-4-11-21-13-15/h2-4,6-8,11,13H,5,9-10,12,14H2,1H3,(H,22,25)(H,23,24)
InChIKeyCOUAXPNZRXPNON-UHFFFAOYSA-N
XLogP2.91
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 6459085
2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 120565146
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 21173810
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194
2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 6498921
4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100500766
N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride
CID 119941733
N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide
CID 51815485
2-[(4-methylphenyl)carbamothioylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 100639374
2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100525900

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide (CID 119047422) is 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide is COC1(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)CCC1.
What is the InChIKey of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is COUAXPNZRXPNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-20(9-5-10-20)12-18(24)23-17-8-3-2-7-16(17)19(25)22-14-15-6-4-11-21-13-15/h2-4,6-8,11,13H,5,9-10,12,14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 119047422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).