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

C13H18N6O — CID 105070362

IUPAC3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C13H18N6O/c1-2-15-11-8-14-7-5-10(11)13(20)16-6-3-4-12-17-9-18-19-12/h5,7-9,15H,2-4,6H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyXXSYBYWHSLIOIS-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.99
Rot. Bonds7

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

3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide (PubChem CID 105070362) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide
PubChem CID105070362
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C13H18N6O/c1-2-15-11-8-14-7-5-10(11)13(20)16-6-3-4-12-17-9-18-19-12/h5,7-9,15H,2-4,6H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyXXSYBYWHSLIOIS-UHFFFAOYSA-N
XLogP0.99
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64523585
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64548665
5-chloro-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 115532376
2-chloro-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 106491058
3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105069979
N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105069592
3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106409098
2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate
CID 105071026
N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105070639
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105071246
N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105070236

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of 3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide (CID 105070362) is 3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide is CCNc1cnccc1C(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide?
The InChIKey is XXSYBYWHSLIOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-2-15-11-8-14-7-5-10(11)13(20)16-6-3-4-12-17-9-18-19-12/h5,7-9,15H,2-4,6H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of 3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide?
3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 105070362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).