N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide

C13H21N3O — CID 81242453

IUPACN-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCC(C)(C)C
InChIInChI=1S/C13H21N3O/c1-5-15-11-6-7-14-8-10(11)12(17)16-9-13(2,3)4/h6-8H,5,9H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyJSVOKWZBIHBVTF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds4

About N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide

N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide (PubChem CID 81242453) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
PubChem CID81242453
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCC(C)(C)C
InChIInChI=1S/C13H21N3O/c1-5-15-11-6-7-14-8-10(11)12(17)16-9-13(2,3)4/h6-8H,5,9H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyJSVOKWZBIHBVTF-UHFFFAOYSA-N
XLogP2.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103464518
N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81243085
N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 81236873
N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81246052
4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067
N-(cyclopentylmethyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81236600
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
CID 81242784
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide
CID 106280042
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 81236752
4-(ethylamino)-N-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 81241556
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide (CID 81242453) is N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide is CCNc1ccncc1C(=O)NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide?
The InChIKey is JSVOKWZBIHBVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-15-11-6-7-14-8-10(11)12(17)16-9-13(2,3)4/h6-8H,5,9H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide?
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81242453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).