5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide

C13H18N6O — CID 104640412

IUPAC5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NC(C)c2nncn2C)nc1
InChIInChI=1S/C13H18N6O/c1-4-14-10-5-6-11(15-7-10)13(20)17-9(2)12-18-16-8-19(12)3/h5-9,14H,4H2,1-3H3,(H,17,20)
InChIKeyBCGPXDFXMKWXRA-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.13
Rot. Bonds5

About 5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide

5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 104640412) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID104640412
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NC(C)c2nncn2C)nc1
InChIInChI=1S/C13H18N6O/c1-4-14-10-5-6-11(15-7-10)13(20)17-9(2)12-18-16-8-19(12)3/h5-9,14H,4H2,1-3H3,(H,17,20)
InChIKeyBCGPXDFXMKWXRA-UHFFFAOYSA-N
XLogP1.13
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 104642269
5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 90648293
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide
CID 47403301
1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94119947
5-(ethylamino)-N-hexan-2-ylpyridine-2-carboxamide
CID 113436154
2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 62833078
1-tert-butyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 115585810
N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104640557
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104640844
5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104639889
2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114219490
5-(ethylamino)-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 104641246

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide (CID 104640412) is 5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide is CCNc1ccc(C(=O)NC(C)c2nncn2C)nc1.
What is the InChIKey of 5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is BCGPXDFXMKWXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-4-14-10-5-6-11(15-7-10)13(20)17-9(2)12-18-16-8-19(12)3/h5-9,14H,4H2,1-3H3,(H,17,20).
What are the key properties of 5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide?
5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 104640412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).