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

C14H23N3O — CID 103464518

IUPACN-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCC(C)(C)CC
InChIInChI=1S/C14H23N3O/c1-5-14(3,4)10-17-13(18)11-9-15-8-7-12(11)16-6-2/h7-9H,5-6,10H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyAOXAIWNVQVFGSK-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.68
Rot. Bonds6

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

N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide (PubChem CID 103464518) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
PubChem CID103464518
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCC(C)(C)CC
InChIInChI=1S/C14H23N3O/c1-5-14(3,4)10-17-13(18)11-9-15-8-7-12(11)16-6-2/h7-9H,5-6,10H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyAOXAIWNVQVFGSK-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103464710
N-(cyclopentylmethyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81236600
N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 81236873
N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81243085
N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81246052
4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067
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
4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 81236752
4-(ethylamino)-N-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 81241556
3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070656

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide (CID 103464518) is N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide is CCNc1ccncc1C(=O)NCC(C)(C)CC.
What is the InChIKey of N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide?
The InChIKey is AOXAIWNVQVFGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-14(3,4)10-17-13(18)11-9-15-8-7-12(11)16-6-2/h7-9H,5-6,10H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide?
N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 103464518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).