N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide

C16H16N2O — CID 2999551

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1cccnc1
InChIInChI=1S/C16H16N2O/c19-16(13-7-4-10-17-11-13)18-15-9-3-6-12-5-1-2-8-14(12)15/h1-2,4-5,7-8,10-11,15H,3,6,9H2,(H,18,19)
InChIKeySAIBCHZWNYLMNC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.89
Rot. Bonds2

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide

N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide (PubChem CID 2999551) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
PubChem CID2999551
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1cccnc1
InChIInChI=1S/C16H16N2O/c19-16(13-7-4-10-17-11-13)18-15-9-3-6-12-5-1-2-8-14(12)15/h1-2,4-5,7-8,10-11,15H,3,6,9H2,(H,18,19)
InChIKeySAIBCHZWNYLMNC-UHFFFAOYSA-N
XLogP2.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide (CID 2999551) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide is O=C(NC1CCCc2ccccc21)c1cccnc1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide?
The InChIKey is SAIBCHZWNYLMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16(13-7-4-10-17-11-13)18-15-9-3-6-12-5-1-2-8-14(12)15/h1-2,4-5,7-8,10-11,15H,3,6,9H2,(H,18,19).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2999551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).