5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide

C17H21N3O — CID 61040072

IUPAC5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1cc(N)cnc1C
InChIInChI=1S/C17H21N3O/c1-3-9-20(12-14-7-5-4-6-8-14)17(21)16-10-15(18)11-19-13(16)2/h4-8,10-11H,3,9,12,18H2,1-2H3
InChIKeyPTRBRRBTSOGDEZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.02
Rot. Bonds5

About 5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide

5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide (PubChem CID 61040072) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide
PubChem CID61040072
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1cc(N)cnc1C
InChIInChI=1S/C17H21N3O/c1-3-9-20(12-14-7-5-4-6-8-14)17(21)16-10-15(18)11-19-13(16)2/h4-8,10-11H,3,9,12,18H2,1-2H3
InChIKeyPTRBRRBTSOGDEZ-UHFFFAOYSA-N
XLogP3.02
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide (CID 61040072) is 5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide is CCCN(Cc1ccccc1)C(=O)c1cc(N)cnc1C.
What is the InChIKey of 5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide?
The InChIKey is PTRBRRBTSOGDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-9-20(12-14-7-5-4-6-8-14)17(21)16-10-15(18)11-19-13(16)2/h4-8,10-11H,3,9,12,18H2,1-2H3.
What are the key properties of 5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide?
5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 61040072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).