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

C12H18ClN3O — CID 62170609

IUPAC3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C12H18ClN3O/c1-4-14-10-6-5-9(13)11(16-10)12(17)15-7-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyRTPSILPHVQDKKZ-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.55
Rot. Bonds5

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

3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 62170609) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID62170609
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C12H18ClN3O/c1-4-14-10-6-5-9(13)11(16-10)12(17)15-7-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyRTPSILPHVQDKKZ-UHFFFAOYSA-N
XLogP2.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide (CID 62170609) is 3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is RTPSILPHVQDKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-4-14-10-6-5-9(13)11(16-10)12(17)15-7-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide?
3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 62170609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).