N-[7-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide

C20H22N2O2 — CID 135023766

IUPACN-[7-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide
SMILESCOc1ccc(C2C3CCC2C(NC(=O)c2ccccn2)C3)cc1
InChIInChI=1S/C20H22N2O2/c1-24-15-8-5-13(6-9-15)19-14-7-10-16(19)18(12-14)22-20(23)17-4-2-3-11-21-17/h2-6,8-9,11,14,16,18-19H,7,10,12H2,1H3,(H,22,23)
InChIKeyKBDRHKIUFILAKE-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.40
Rot. Bonds4

About N-[7-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide

N-[7-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide (PubChem CID 135023766) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[7-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[7-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide
PubChem CID135023766
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[7-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide
SMILESCOc1ccc(C2C3CCC2C(NC(=O)c2ccccn2)C3)cc1
InChIInChI=1S/C20H22N2O2/c1-24-15-8-5-13(6-9-15)19-14-7-10-16(19)18(12-14)22-20(23)17-4-2-3-11-21-17/h2-6,8-9,11,14,16,18-19H,7,10,12H2,1H3,(H,22,23)
InChIKeyKBDRHKIUFILAKE-UHFFFAOYSA-N
XLogP3.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
ROCK inhibitor-2
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7-fluoro-3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118498266
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2-pyrrolecarboxamide
CID 24820011
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-3-yl)propanamide
CID 23648324
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-4-yl)propanamide
CID 23648325
N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2984987
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2985341
Pyridine-2-carboxylic acid [3-(4-isopropoxy-benzoylamino)-propyl]-amide
CID 2985370
N-{3-[(4-methoxybenzoyl)amino]propyl}-2-pyridinecarboxamide
CID 2988566
2-(4-methylphenoxy)-N-[2-(2-pyridylcarbonylamino)ethyl]acetamide
CID 2990967
5-Cyclohexyl-5-(4-methoxy-phenyl)-penta-2,4-dienoic acid (1-methyl-4-pyridin-3-yl-butyl)-amide
CID 14347392

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide?
The IUPAC name of N-[7-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide (CID 135023766) is N-[7-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[7-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide?
The canonical SMILES for N-[7-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide is COc1ccc(C2C3CCC2C(NC(=O)c2ccccn2)C3)cc1.
What is the InChIKey of N-[7-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide?
The InChIKey is KBDRHKIUFILAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-24-15-8-5-13(6-9-15)19-14-7-10-16(19)18(12-14)22-20(23)17-4-2-3-11-21-17/h2-6,8-9,11,14,16,18-19H,7,10,12H2,1H3,(H,22,23).
What are the key properties of N-[7-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide?
N-[7-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide is sourced from PubChem (CID 135023766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).