(1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

C20H22N2O — CID 176763932

IUPAC(1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC3CC[C@H]2C3)cc1-c1ccccn1
InChIInChI=1S/C20H22N2O/c1-13-5-8-16(12-17(13)19-4-2-3-9-21-19)22-20(23)18-11-14-6-7-15(18)10-14/h2-5,8-9,12,14-15,18H,6-7,10-11H2,1H3,(H,22,23)/t14?,15-,18?/m0/s1
InChIKeyLZGUFQJNRLXJPI-CSLYMUCUSA-N
MW306.41 g/mol
LogP4.43
Rot. Bonds3

About (1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

(1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 176763932) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID176763932
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC3CC[C@H]2C3)cc1-c1ccccn1
InChIInChI=1S/C20H22N2O/c1-13-5-8-16(12-17(13)19-4-2-3-9-21-19)22-20(23)18-11-14-6-7-15(18)10-14/h2-5,8-9,12,14-15,18H,6-7,10-11H2,1H3,(H,22,23)/t14?,15-,18?/m0/s1
InChIKeyLZGUFQJNRLXJPI-CSLYMUCUSA-N
XLogP4.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 169175846
(1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 51027350
N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide
CID 169176404
(1R,2R,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 40532945
(1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 98329182
(1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7083370
2-cyclobutyl-N-(4-methyl-3-pyridin-2-ylphenyl)acetamide
CID 169175816
(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 169177069
tert-butyl 7-[(4-methyl-3-pyridin-2-ylphenyl)carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 169175921
(1S,2S,4S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 100594159
(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878067

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 176763932) is (1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1ccc(NC(=O)C2CC3CC[C@H]2C3)cc1-c1ccccn1.
What is the InChIKey of (1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LZGUFQJNRLXJPI-CSLYMUCUSA-N. The full InChI is InChI=1S/C20H22N2O/c1-13-5-8-16(12-17(13)19-4-2-3-9-21-19)22-20(23)18-11-14-6-7-15(18)10-14/h2-5,8-9,12,14-15,18H,6-7,10-11H2,1H3,(H,22,23)/t14?,15-,18?/m0/s1.
What are the key properties of (1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 176763932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).