4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide

C13H21N3O — CID 155778897

IUPAC4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCCNCc1ccnc(C(=O)NCC(C)C)c1
InChIInChI=1S/C13H21N3O/c1-4-14-9-11-5-6-15-12(7-11)13(17)16-8-10(2)3/h5-7,10,14H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyRXFCUIOWMYRGME-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.58
Rot. Bonds6

About 4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide

4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 155778897) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID155778897
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCCNCc1ccnc(C(=O)NCC(C)C)c1
InChIInChI=1S/C13H21N3O/c1-4-14-9-11-5-6-15-12(7-11)13(17)16-8-10(2)3/h5-7,10,14H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyRXFCUIOWMYRGME-UHFFFAOYSA-N
XLogP1.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202921
4-N-(2-methylpropyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077815
4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079822
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
N-(2-methylpropyl)isoquinoline-3-carboxamide
CID 110848375
N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109181042
4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109079626
2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 107687125
N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203069
4-[(2-amino-4-methylpentyl)amino]-N-ethylpyridine-2-carboxamide
CID 107159414
4-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202891
4-(2-ethylpiperidin-1-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202928

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide (CID 155778897) is 4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide is CCNCc1ccnc(C(=O)NCC(C)C)c1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is RXFCUIOWMYRGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-14-9-11-5-6-15-12(7-11)13(17)16-8-10(2)3/h5-7,10,14H,4,8-9H2,1-3H3,(H,16,17).
What are the key properties of 4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide?
4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 155778897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).