2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide

C17H29N3O — CID 79487895

IUPAC2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)N(CC(C)C)C(CC)CC
InChIInChI=1S/C17H29N3O/c1-6-14(7-2)20(12-13(4)5)17(21)15-10-9-11-19-16(15)18-8-3/h9-11,13-14H,6-8,12H2,1-5H3,(H,18,19)
InChIKeyJFLUJZDAHDJZPW-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.80
Rot. Bonds8

About 2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide

2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide (PubChem CID 79487895) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
PubChem CID79487895
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)N(CC(C)C)C(CC)CC
InChIInChI=1S/C17H29N3O/c1-6-14(7-2)20(12-13(4)5)17(21)15-10-9-11-19-16(15)18-8-3/h9-11,13-14H,6-8,12H2,1-5H3,(H,18,19)
InChIKeyJFLUJZDAHDJZPW-UHFFFAOYSA-N
XLogP3.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79501523
2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62178139
2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 79490710
2-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62168546
2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62174129
2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79484068
2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79490268
2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62176798
2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 112664065
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(methylamino)pyridine-3-carboxamide
CID 103191074
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62179083
N-ethyl-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62181530

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide (CID 79487895) is 2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide is CCNc1ncccc1C(=O)N(CC(C)C)C(CC)CC.
What is the InChIKey of 2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide?
The InChIKey is JFLUJZDAHDJZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-14(7-2)20(12-13(4)5)17(21)15-10-9-11-19-16(15)18-8-3/h9-11,13-14H,6-8,12H2,1-5H3,(H,18,19).
What are the key properties of 2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide?
2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 79487895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).