2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide

C18H22N4O2 — CID 120617700

IUPAC2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C18H22N4O2/c1-12(2)10-21-18(24)15-5-3-4-6-16(15)22-17(23)9-14-8-7-13(19)11-20-14/h3-8,11-12H,9-10,19H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyIJIHCVWGNOTKDH-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.23
Rot. Bonds6

About 2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 120617700) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID120617700
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C18H22N4O2/c1-12(2)10-21-18(24)15-5-3-4-6-16(15)22-17(23)9-14-8-7-13(19)11-20-14/h3-8,11-12H,9-10,19H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyIJIHCVWGNOTKDH-UHFFFAOYSA-N
XLogP2.23
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(2-hydroxyphenyl)acetamide
CID 107338919
2-(5-amino-2-pyridinyl)-N-(2-chlorophenyl)acetamide
CID 107337448
2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid
CID 107338676
2-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)phenyl]acetamide
CID 107337820
2-(5-amino-2-pyridinyl)-N-[2-(ethoxymethyl)phenyl]acetamide
CID 107337699
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide
CID 51321090
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
2-(5-amino-2-pyridinyl)-N-(2-methylbutyl)acetamide
CID 107338689
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
2-(5-amino-2-pyridinyl)-N-[(1S)-1-phenylethyl]acetamide
CID 107338863

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide (CID 120617700) is 2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)Cc1ccc(N)cn1.
What is the InChIKey of 2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is IJIHCVWGNOTKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)10-21-18(24)15-5-3-4-6-16(15)22-17(23)9-14-8-7-13(19)11-20-14/h3-8,11-12H,9-10,19H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 120617700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).