5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide

C16H26ClN3O — CID 62180091

IUPAC5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)cc1Cl
InChIInChI=1S/C16H26ClN3O/c1-6-18-15-14(17)7-13(8-19-15)16(21)20(9-11(2)3)10-12(4)5/h7-8,11-12H,6,9-10H2,1-5H3,(H,18,19)
InChIKeyNRPWSLKJNZOONF-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.92
Rot. Bonds7

About 5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide

5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 62180091) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
PubChem CID62180091
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)cc1Cl
InChIInChI=1S/C16H26ClN3O/c1-6-18-15-14(17)7-13(8-19-15)16(21)20(9-11(2)3)10-12(4)5/h7-8,11-12H,6,9-10H2,1-5H3,(H,18,19)
InChIKeyNRPWSLKJNZOONF-UHFFFAOYSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide (CID 62180091) is 5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide is CCNc1ncc(C(=O)N(CC(C)C)CC(C)C)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is NRPWSLKJNZOONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-6-18-15-14(17)7-13(8-19-15)16(21)20(9-11(2)3)10-12(4)5/h7-8,11-12H,6,9-10H2,1-5H3,(H,18,19).
What are the key properties of 5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide?
5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 311.86 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 62180091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).