N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide

C19H20N2O — CID 169176404

IUPACN-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide
SMILESCc1ccc(NC(=O)C2CC3(CC3)C2)cc1-c1ccccn1
InChIInChI=1S/C19H20N2O/c1-13-5-6-15(10-16(13)17-4-2-3-9-20-17)21-18(22)14-11-19(12-14)7-8-19/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,21,22)
InChIKeyPELMLHFWFYEKII-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.19
Rot. Bonds3

About N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide

N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide (PubChem CID 169176404) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide
PubChem CID169176404
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide
SMILESCc1ccc(NC(=O)C2CC3(CC3)C2)cc1-c1ccccn1
InChIInChI=1S/C19H20N2O/c1-13-5-6-15(10-16(13)17-4-2-3-9-20-17)21-18(22)14-11-19(12-14)7-8-19/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,21,22)
InChIKeyPELMLHFWFYEKII-UHFFFAOYSA-N
XLogP4.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide?
The IUPAC name of N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide (CID 169176404) is N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide.
What is the SMILES notation for N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide?
The canonical SMILES for N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide is Cc1ccc(NC(=O)C2CC3(CC3)C2)cc1-c1ccccn1.
What is the InChIKey of N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide?
The InChIKey is PELMLHFWFYEKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13-5-6-15(10-16(13)17-4-2-3-9-20-17)21-18(22)14-11-19(12-14)7-8-19/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,21,22).
What are the key properties of N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide?
N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide is sourced from PubChem (CID 169176404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).