3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C12H15ClF3N3O2 — CID 107486136

IUPAC3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C12H15ClF3N3O2/c1-2-17-9-4-3-8(13)10(18-9)11(21)19(5-6-20)7-12(14,15)16/h3-4,20H,2,5-7H2,1H3,(H,17,18)
InChIKeyNMPNKCFSDPCFCU-UHFFFAOYSA-N
MW325.72 g/mol
LogP2.16
Rot. Bonds6

About 3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 107486136) has the molecular formula C12H15ClF3N3O2 and a molecular weight of 325.72 g/mol. Its IUPAC name is 3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID107486136
Molecular FormulaC12H15ClF3N3O2
Molecular Weight325.72 g/mol
Exact Mass325.08
IUPAC Name3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C12H15ClF3N3O2/c1-2-17-9-4-3-8(13)10(18-9)11(21)19(5-6-20)7-12(14,15)16/h3-4,20H,2,5-7H2,1H3,(H,17,18)
InChIKeyNMPNKCFSDPCFCU-UHFFFAOYSA-N
XLogP2.16
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62179575
6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 107486181
N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
CID 62180165
3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
CID 107485986
3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 79469760
3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide
CID 106432994
3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 63940498
3-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide
CID 62235495
3-chloro-6-(ethylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 62169311
3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide
CID 81074655
3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 107401299
3-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 63290108

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 107486136) is 3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)N(CCO)CC(F)(F)F)n1.
What is the InChIKey of 3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is NMPNKCFSDPCFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O2/c1-2-17-9-4-3-8(13)10(18-9)11(21)19(5-6-20)7-12(14,15)16/h3-4,20H,2,5-7H2,1H3,(H,17,18).
What are the key properties of 3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 325.72 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107486136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).