5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide

C16H27N3O — CID 79483346

IUPAC5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1ccc(CN)cn1
InChIInChI=1S/C16H27N3O/c1-5-14(6-2)19(11-12(3)4)16(20)15-8-7-13(9-17)10-18-15/h7-8,10,12,14H,5-6,9,11,17H2,1-4H3
InChIKeyKQHWEOGXTJOZSJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.83
Rot. Bonds7

About 5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide

5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide (PubChem CID 79483346) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide
PubChem CID79483346
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1ccc(CN)cn1
InChIInChI=1S/C16H27N3O/c1-5-14(6-2)19(11-12(3)4)16(20)15-8-7-13(9-17)10-18-15/h7-8,10,12,14H,5-6,9,11,17H2,1-4H3
InChIKeyKQHWEOGXTJOZSJ-UHFFFAOYSA-N
XLogP2.83
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 55229435
5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide
CID 55229815
6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79484236
5-(aminomethyl)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 63723883
5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 79384484
2-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79501668
5-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide
CID 63724556
5-(aminomethyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
CID 63723531
2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79501523
4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride
CID 119816015
5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide
CID 81053194
5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79487064

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide (CID 79483346) is 5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide is CCC(CC)N(CC(C)C)C(=O)c1ccc(CN)cn1.
What is the InChIKey of 5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide?
The InChIKey is KQHWEOGXTJOZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-14(6-2)19(11-12(3)4)16(20)15-8-7-13(9-17)10-18-15/h7-8,10,12,14H,5-6,9,11,17H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide?
5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 79483346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).