5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide

C16H26ClN3O — CID 114922691

IUPAC5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide
SMILESCCCCCCC(C)NC(=O)c1cc(NCC)ncc1Cl
InChIInChI=1S/C16H26ClN3O/c1-4-6-7-8-9-12(3)20-16(21)13-10-15(18-5-2)19-11-14(13)17/h10-12H,4-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeySJAGTFILXWRVNI-UHFFFAOYSA-N
MW311.86 g/mol
LogP4.26
Rot. Bonds9

About 5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide

5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide (PubChem CID 114922691) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide
PubChem CID114922691
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide
SMILESCCCCCCC(C)NC(=O)c1cc(NCC)ncc1Cl
InChIInChI=1S/C16H26ClN3O/c1-4-6-7-8-9-12(3)20-16(21)13-10-15(18-5-2)19-11-14(13)17/h10-12H,4-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeySJAGTFILXWRVNI-UHFFFAOYSA-N
XLogP4.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 114923146
5-chloro-N-(dicyclopropylmethyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923170
5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923804
N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114923111
N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114922104
5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114922662
5-chloro-2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 114923855
5-(ethylamino)-N-hexan-2-ylpyrazine-2-carboxamide
CID 107375376
5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114923893
5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 114921827
5-chloro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923823
5-chloro-2-(ethylamino)-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 114922169

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide (CID 114922691) is 5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide is CCCCCCC(C)NC(=O)c1cc(NCC)ncc1Cl.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide?
The InChIKey is SJAGTFILXWRVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-4-6-7-8-9-12(3)20-16(21)13-10-15(18-5-2)19-11-14(13)17/h10-12H,4-9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide?
5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide has a molecular weight of 311.86 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 114922691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).