2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide

C13H17N5O3 — CID 91768013

IUPAC2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCCn2ccnn2)c(OC)n1
InChIInChI=1S/C13H17N5O3/c1-20-11-5-4-10(13(16-11)21-2)12(19)14-6-3-8-18-9-7-15-17-18/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,19)
InChIKeyUKCNJHCMPFSBIL-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.51
Rot. Bonds7

About 2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide

2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 91768013) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide
PubChem CID91768013
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCCn2ccnn2)c(OC)n1
InChIInChI=1S/C13H17N5O3/c1-20-11-5-4-10(13(16-11)21-2)12(19)14-6-3-8-18-9-7-15-17-18/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,19)
InChIKeyUKCNJHCMPFSBIL-UHFFFAOYSA-N
XLogP0.51
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(triazol-1-yl)propyl]-5-(trifluoromethyl)benzamide
CID 91775896
1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 118769650
5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide
CID 172655951
3-sulfanyl-N-[3-(triazol-1-yl)propyl]benzamide
CID 107034799
4-(ethylsulfonylamino)-N-[3-(triazol-1-yl)propyl]benzamide
CID 135103024
N-[3-(triazol-1-yl)propyl]-1,3-benzothiazole-7-carboxamide
CID 157017238
2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 50981357
3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide
CID 113412348
2-[2-oxo-2-[3-(triazol-1-yl)propylamino]ethyl]benzoic acid
CID 104601773
2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide
CID 75453912
2-[[[2-(4-methoxyphenyl)ethylamino]-[3-(triazol-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036707
6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide
CID 118783170

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide (CID 91768013) is 2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide is COc1ccc(C(=O)NCCCn2ccnn2)c(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is UKCNJHCMPFSBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-20-11-5-4-10(13(16-11)21-2)12(19)14-6-3-8-18-9-7-15-17-18/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,19).
What are the key properties of 2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide?
2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 91768013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).