N-[(1R)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]-4-pyridin-4-ylbenzamide

C26H29N3O2 — CID 155565976

IUPACN-[(1R)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]-4-pyridin-4-ylbenzamide
SMILESCOc1cccc([C@@H](CCN2CCCC2)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C26H29N3O2/c1-31-24-6-4-5-23(19-24)25(13-18-29-16-2-3-17-29)28-26(30)22-9-7-20(8-10-22)21-11-14-27-15-12-21/h4-12,14-15,19,25H,2-3,13,16-18H2,1H3,(H,28,30)/t25-/m1/s1
InChIKeyMHFWDTZIDHQBTC-RUZDIDTESA-N
MW415.54 g/mol
LogP4.71
Rot. Bonds8

About N-[(1R)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]-4-pyridin-4-ylbenzamide

N-[(1R)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]-4-pyridin-4-ylbenzamide (PubChem CID 155565976) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]-4-pyridin-4-ylbenzamide
PubChem CID155565976
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]-4-pyridin-4-ylbenzamide
SMILESCOc1cccc([C@@H](CCN2CCCC2)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C26H29N3O2/c1-31-24-6-4-5-23(19-24)25(13-18-29-16-2-3-17-29)28-26(30)22-9-7-20(8-10-22)21-11-14-27-15-12-21/h4-12,14-15,19,25H,2-3,13,16-18H2,1H3,(H,28,30)/t25-/m1/s1
InChIKeyMHFWDTZIDHQBTC-RUZDIDTESA-N
XLogP4.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ro 24-0238
CID 6439060
BI-9564
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Ave-0118
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Wwl70
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4-fluoro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
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4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
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N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
CID 121363591
N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126
2-Methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide
CID 139582022

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]-4-pyridin-4-ylbenzamide (CID 155565976) is N-[(1R)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]-4-pyridin-4-ylbenzamide is COc1cccc([C@@H](CCN2CCCC2)NC(=O)c2ccc(-c3ccncc3)cc2)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]-4-pyridin-4-ylbenzamide?
The InChIKey is MHFWDTZIDHQBTC-RUZDIDTESA-N. The full InChI is InChI=1S/C26H29N3O2/c1-31-24-6-4-5-23(19-24)25(13-18-29-16-2-3-17-29)28-26(30)22-9-7-20(8-10-22)21-11-14-27-15-12-21/h4-12,14-15,19,25H,2-3,13,16-18H2,1H3,(H,28,30)/t25-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]-4-pyridin-4-ylbenzamide?
N-[(1R)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]-4-pyridin-4-ylbenzamide has a molecular weight of 415.54 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 155565976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).