5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide

C16H26ClN3O — CID 114923146

IUPAC5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC(C)CCCC(C)C)c(Cl)cn1
InChIInChI=1S/C16H26ClN3O/c1-5-18-15-9-13(14(17)10-19-15)16(21)20-12(4)8-6-7-11(2)3/h9-12H,5-8H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyAATKBCGKDLGXHM-UHFFFAOYSA-N
MW311.86 g/mol
LogP4.11
Rot. Bonds8

About 5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide

5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide (PubChem CID 114923146) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
PubChem CID114923146
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC(C)CCCC(C)C)c(Cl)cn1
InChIInChI=1S/C16H26ClN3O/c1-5-18-15-9-13(14(17)10-19-15)16(21)20-12(4)8-6-7-11(2)3/h9-12H,5-8H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyAATKBCGKDLGXHM-UHFFFAOYSA-N
XLogP4.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide
CID 114922691
5-chloro-N-(dicyclopropylmethyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923170
5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923804
5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide
CID 114924749
5-chloro-2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 114923855
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-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)pyridine-4-carboxamide
CID 114922690
5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide
CID 60631422
5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114922662
5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923229

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide (CID 114923146) is 5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide is CCNc1cc(C(=O)NC(C)CCCC(C)C)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide?
The InChIKey is AATKBCGKDLGXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-5-18-15-9-13(14(17)10-19-15)16(21)20-12(4)8-6-7-11(2)3/h9-12H,5-8H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide?
5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide has a molecular weight of 311.86 g/mol, XLogP of 4.11, 8 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-(6-methylheptan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114923146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).