5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide

C14H23N3O — CID 83142698

IUPAC5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide
SMILESCC(CNC(=O)c1ccc(CN)cn1)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-10(14(2,3)4)8-17-13(18)12-6-5-11(7-15)9-16-12/h5-6,9-10H,7-8,15H2,1-4H3,(H,17,18)
InChIKeySKSSRCOGFBSZKX-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.95
Rot. Bonds4

About 5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide

5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide (PubChem CID 83142698) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide
PubChem CID83142698
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide
SMILESCC(CNC(=O)c1ccc(CN)cn1)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-10(14(2,3)4)8-17-13(18)12-6-5-11(7-15)9-16-12/h5-6,9-10H,7-8,15H2,1-4H3,(H,17,18)
InChIKeySKSSRCOGFBSZKX-UHFFFAOYSA-N
XLogP1.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 63723883
5-(aminomethyl)-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 63724390
5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 115355859
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide
CID 107863938
5-(aminomethyl)-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 55229435
5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107376665
5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 63724718
5-(aminomethyl)-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63723354
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 63722358
5-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2-carboxamide
CID 79351403

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide (CID 83142698) is 5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide is CC(CNC(=O)c1ccc(CN)cn1)C(C)(C)C.
What is the InChIKey of 5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide?
The InChIKey is SKSSRCOGFBSZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(14(2,3)4)8-17-13(18)12-6-5-11(7-15)9-16-12/h5-6,9-10H,7-8,15H2,1-4H3,(H,17,18).
What are the key properties of 5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide?
5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 83142698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).