N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C13H19N5O — CID 50784714

IUPACN-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCc1nnc2ccc(C(=O)NCCN(C)C)cn12
InChIInChI=1S/C13H19N5O/c1-4-11-15-16-12-6-5-10(9-18(11)12)13(19)14-7-8-17(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,14,19)
InChIKeyMSRWZKYSGMXSSO-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.58
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 50784714) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID50784714
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCc1nnc2ccc(C(=O)NCCN(C)C)cn12
InChIInChI=1S/C13H19N5O/c1-4-11-15-16-12-6-5-10(9-18(11)12)13(19)14-7-8-17(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,14,19)
InChIKeyMSRWZKYSGMXSSO-UHFFFAOYSA-N
XLogP0.58
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 84614345
3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 50784700
3-(cyclopentanecarbonylamino)-N-[2-(dimethylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 44782915
N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 84614323
4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
CID 24701967
N-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide
CID 44782920
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide
CID 46948605
3-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134799949
4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045787
N-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800339
3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117257179

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 50784714) is N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCc1nnc2ccc(C(=O)NCCN(C)C)cn12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is MSRWZKYSGMXSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-11-15-16-12-6-5-10(9-18(11)12)13(19)14-7-8-17(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,14,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 50784714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).