6-(aminomethyl)-N-methyl-N-propan-2-ylpyridine-2-carboxamide

C11H17N3O — CID 82507390

IUPAC6-(aminomethyl)-N-methyl-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(C)C(=O)c1cccc(CN)n1
InChIInChI=1S/C11H17N3O/c1-8(2)14(3)11(15)10-6-4-5-9(7-12)13-10/h4-6,8H,7,12H2,1-3H3
InChIKeyGGVQNCSDTYDEBA-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.02
Rot. Bonds3

About 6-(aminomethyl)-N-methyl-N-propan-2-ylpyridine-2-carboxamide

6-(aminomethyl)-N-methyl-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 82507390) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-(aminomethyl)-N-methyl-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-methyl-N-propan-2-ylpyridine-2-carboxamide
PubChem CID82507390
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name6-(aminomethyl)-N-methyl-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(C)C(=O)c1cccc(CN)n1
InChIInChI=1S/C11H17N3O/c1-8(2)14(3)11(15)10-6-4-5-9(7-12)13-10/h4-6,8H,7,12H2,1-3H3
InChIKeyGGVQNCSDTYDEBA-UHFFFAOYSA-N
XLogP1.02
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-methyl-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-(aminomethyl)-N-methyl-N-propan-2-ylpyridine-2-carboxamide (CID 82507390) is 6-(aminomethyl)-N-methyl-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-N-methyl-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-(aminomethyl)-N-methyl-N-propan-2-ylpyridine-2-carboxamide is CC(C)N(C)C(=O)c1cccc(CN)n1.
What is the InChIKey of 6-(aminomethyl)-N-methyl-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is GGVQNCSDTYDEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)14(3)11(15)10-6-4-5-9(7-12)13-10/h4-6,8H,7,12H2,1-3H3.
What are the key properties of 6-(aminomethyl)-N-methyl-N-propan-2-ylpyridine-2-carboxamide?
6-(aminomethyl)-N-methyl-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-methyl-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 82507390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).