4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide

C13H21N3O — CID 81236752

IUPAC4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NC(C)C(C)C
InChIInChI=1S/C13H21N3O/c1-5-15-12-6-7-14-8-11(12)13(17)16-10(4)9(2)3/h6-10H,5H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyCNEJKAZMNAQBCX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds5

About 4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide

4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 81236752) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
PubChem CID81236752
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NC(C)C(C)C
InChIInChI=1S/C13H21N3O/c1-5-15-12-6-7-14-8-11(12)13(17)16-10(4)9(2)3/h6-10H,5H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyCNEJKAZMNAQBCX-UHFFFAOYSA-N
XLogP2.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067
4-(ethylamino)-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
CID 81242327
4-(ethylamino)-N-(4-methylhexan-2-yl)pyridine-3-carboxamide
CID 81245539
N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81246052
N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 81238108
4-(ethylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 81240259
4-(ethylamino)-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81233596
4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide
CID 107817983
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
4-(ethylamino)-N-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 81241556
N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide
CID 81240030
N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103464518

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide (CID 81236752) is 4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide is CCNc1ccncc1C(=O)NC(C)C(C)C.
What is the InChIKey of 4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is CNEJKAZMNAQBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-15-12-6-7-14-8-11(12)13(17)16-10(4)9(2)3/h6-10H,5H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide?
4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 81236752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).