N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide

C17H21N3O — CID 17057983

IUPACN-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide
SMILESCC(C)CNC(=O)c1cccc(NCc2ccncc2)c1
InChIInChI=1S/C17H21N3O/c1-13(2)11-20-17(21)15-4-3-5-16(10-15)19-12-14-6-8-18-9-7-14/h3-10,13,19H,11-12H2,1-2H3,(H,20,21)
InChIKeyIPJJBOGLBSUXQY-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.08
Rot. Bonds6

About N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide

N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide (PubChem CID 17057983) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide
PubChem CID17057983
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide
SMILESCC(C)CNC(=O)c1cccc(NCc2ccncc2)c1
InChIInChI=1S/C17H21N3O/c1-13(2)11-20-17(21)15-4-3-5-16(10-15)19-12-14-6-8-18-9-7-14/h3-10,13,19H,11-12H2,1-2H3,(H,20,21)
InChIKeyIPJJBOGLBSUXQY-UHFFFAOYSA-N
XLogP3.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109181042
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide
CID 131898619
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62758960
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 879496
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
N,3-bis(2-methylpropyl)benzamide
CID 176945198
3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 2993697

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide (CID 17057983) is N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide is CC(C)CNC(=O)c1cccc(NCc2ccncc2)c1.
What is the InChIKey of N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is IPJJBOGLBSUXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(2)11-20-17(21)15-4-3-5-16(10-15)19-12-14-6-8-18-9-7-14/h3-10,13,19H,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide?
N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 283.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 17057983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).