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

C14H23N3O — CID 81246052

IUPACN-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCC(C)C(C)C
InChIInChI=1S/C14H23N3O/c1-5-16-13-6-7-15-9-12(13)14(18)17-8-11(4)10(2)3/h6-7,9-11H,5,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyGSIWXHNUBMIVJD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.54
Rot. Bonds6

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

N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide (PubChem CID 81246052) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
PubChem CID81246052
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCC(C)C(C)C
InChIInChI=1S/C14H23N3O/c1-5-16-13-6-7-15-9-12(13)14(18)17-8-11(4)10(2)3/h6-7,9-11H,5,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyGSIWXHNUBMIVJD-UHFFFAOYSA-N
XLogP2.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245145
4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 81236752
4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067
4-(ethylamino)-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
CID 81242327
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide
CID 107817983
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
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
CID 81242784
4-(ethylamino)-N-(4-methylhexan-2-yl)pyridine-3-carboxamide
CID 81245539
N-(cyclopentylmethyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81236600

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide (CID 81246052) is N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide is CCNc1ccncc1C(=O)NCC(C)C(C)C.
What is the InChIKey of N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide?
The InChIKey is GSIWXHNUBMIVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-16-13-6-7-15-9-12(13)14(18)17-8-11(4)10(2)3/h6-7,9-11H,5,8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide?
N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81246052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).