N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide

C26H29N3O2 — CID 46536982

IUPACN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(-c3ccccc3)nc2C)N2CCCC2)c1
InChIInChI=1S/C26H29N3O2/c1-19-23(13-14-24(28-19)20-9-4-3-5-10-20)26(30)27-18-25(29-15-6-7-16-29)21-11-8-12-22(17-21)31-2/h3-5,8-14,17,25H,6-7,15-16,18H2,1-2H3,(H,27,30)
InChIKeyHSXOFSZRZKCXCU-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.63
Rot. Bonds7

About N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide (PubChem CID 46536982) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide
PubChem CID46536982
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(-c3ccccc3)nc2C)N2CCCC2)c1
InChIInChI=1S/C26H29N3O2/c1-19-23(13-14-24(28-19)20-9-4-3-5-10-20)26(30)27-18-25(29-15-6-7-16-29)21-11-8-12-22(17-21)31-2/h3-5,8-14,17,25H,6-7,15-16,18H2,1-2H3,(H,27,30)
InChIKeyHSXOFSZRZKCXCU-UHFFFAOYSA-N
XLogP4.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethylbenzamide
CID 43007764
N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide
CID 30695715
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide
CID 35671864
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 166208823
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
1-(2-fluorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylpyrazole-4-carboxamide
CID 42940079
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 42945536
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46437989
5-methoxy-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-nitrobenzamide
CID 47879332
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide
CID 44902864

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide (CID 46536982) is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide is COc1cccc(C(CNC(=O)c2ccc(-c3ccccc3)nc2C)N2CCCC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide?
The InChIKey is HSXOFSZRZKCXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-19-23(13-14-24(28-19)20-9-4-3-5-10-20)26(30)27-18-25(29-15-6-7-16-29)21-11-8-12-22(17-21)31-2/h3-5,8-14,17,25H,6-7,15-16,18H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide?
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 46536982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).