N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide

C20H21N5O — CID 74247232

IUPACN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(-n2cnnc2)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H21N5O/c1-14(16-7-6-15-4-2-3-5-17(15)10-16)24-20(26)18-8-9-21-19(11-18)25-12-22-23-13-25/h6-14H,2-5H2,1H3,(H,24,26)
InChIKeyDZIRFHMKVPCNDP-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.03
Rot. Bonds4

About N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide (PubChem CID 74247232) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
PubChem CID74247232
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(-n2cnnc2)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H21N5O/c1-14(16-7-6-15-4-2-3-5-17(15)10-16)24-20(26)18-8-9-21-19(11-18)25-12-22-23-13-25/h6-14H,2-5H2,1H3,(H,24,26)
InChIKeyDZIRFHMKVPCNDP-UHFFFAOYSA-N
XLogP3.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide
CID 30013789
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951
3-fluoro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2941760
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 25371184
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 26419597
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 28549066
1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 42937313
3-methoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2201463
4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133191869
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
4-ethoxy-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190984

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide (CID 74247232) is N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide is CC(NC(=O)c1ccnc(-n2cnnc2)c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The InChIKey is DZIRFHMKVPCNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14(16-7-6-15-4-2-3-5-17(15)10-16)24-20(26)18-8-9-21-19(11-18)25-12-22-23-13-25/h6-14H,2-5H2,1H3,(H,24,26).
What are the key properties of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 74247232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).