2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide

C18H22N4O2 — CID 120565146

IUPAC2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(N)CCC(=O)Nc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C18H22N4O2/c1-13(19)8-9-17(23)22-16-7-3-2-6-15(16)18(24)21-12-14-5-4-10-20-11-14/h2-7,10-11,13H,8-9,12,19H2,1H3,(H,21,24)(H,22,23)
InChIKeyMJCOPBXMXNWSOX-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.08
Rot. Bonds7

About 2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide

2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 120565146) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID120565146
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(N)CCC(=O)Nc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C18H22N4O2/c1-13(19)8-9-17(23)22-16-7-3-2-6-15(16)18(24)21-12-14-5-4-10-20-11-14/h2-7,10-11,13H,8-9,12,19H2,1H3,(H,21,24)(H,22,23)
InChIKeyMJCOPBXMXNWSOX-UHFFFAOYSA-N
XLogP2.08
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide
CID 51815485
N-methyl-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 34754830
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 6459085
2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 21173810
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 119047422
2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 6498921
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
2-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 94016159
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-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide (CID 120565146) is 2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide is CC(N)CCC(=O)Nc1ccccc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is MJCOPBXMXNWSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(19)8-9-17(23)22-16-7-3-2-6-15(16)18(24)21-12-14-5-4-10-20-11-14/h2-7,10-11,13H,8-9,12,19H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide?
2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 120565146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).