5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide

C12H14ClN5O2 — CID 62178606

IUPAC5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)NCc2nc(C)no2)cc1Cl
InChIInChI=1S/C12H14ClN5O2/c1-3-14-11-9(13)4-8(5-15-11)12(19)16-6-10-17-7(2)18-20-10/h4-5H,3,6H2,1-2H3,(H,14,15)(H,16,19)
InChIKeyUTHQCQIPPGILJE-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.79
Rot. Bonds5

About 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide

5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 62178606) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID62178606
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)NCc2nc(C)no2)cc1Cl
InChIInChI=1S/C12H14ClN5O2/c1-3-14-11-9(13)4-8(5-15-11)12(19)16-6-10-17-7(2)18-20-10/h4-5H,3,6H2,1-2H3,(H,14,15)(H,16,19)
InChIKeyUTHQCQIPPGILJE-UHFFFAOYSA-N
XLogP1.79
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3,5-dichloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 82832642
5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64602460
3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 62178076
3-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-carboxamide
CID 105069474
5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 106000787
5-carbamothioyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 63749206
N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62176364
5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63499570
5-chloro-6-(ethylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 62166235
5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 106423014
5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 62180091
5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide
CID 66353786

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide (CID 62178606) is 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide is CCNc1ncc(C(=O)NCc2nc(C)no2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is UTHQCQIPPGILJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-3-14-11-9(13)4-8(5-15-11)12(19)16-6-10-17-7(2)18-20-10/h4-5H,3,6H2,1-2H3,(H,14,15)(H,16,19).
What are the key properties of 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 62178606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).