N-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide

C32H33N3O — CID 69057549

IUPACN-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide
SMILESCN(C(=O)CC(c1ccccc1)c1ccccc1)C1CCN(C(c2ccccc2)c2ccncc2)C1
InChIInChI=1S/C32H33N3O/c1-34(31(36)23-30(25-11-5-2-6-12-25)26-13-7-3-8-14-26)29-19-22-35(24-29)32(27-15-9-4-10-16-27)28-17-20-33-21-18-28/h2-18,20-21,29-30,32H,19,22-24H2,1H3
InChIKeyHISLUEHODNDPIG-UHFFFAOYSA-N
MW475.64 g/mol
LogP5.93
Rot. Bonds8

About N-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide

N-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide (PubChem CID 69057549) has the molecular formula C32H33N3O and a molecular weight of 475.64 g/mol. Its IUPAC name is N-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide
PubChem CID69057549
Molecular FormulaC32H33N3O
Molecular Weight475.64 g/mol
Exact Mass475.26
IUPAC NameN-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide
SMILESCN(C(=O)CC(c1ccccc1)c1ccccc1)C1CCN(C(c2ccccc2)c2ccncc2)C1
InChIInChI=1S/C32H33N3O/c1-34(31(36)23-30(25-11-5-2-6-12-25)26-13-7-3-8-14-26)29-19-22-35(24-29)32(27-15-9-4-10-16-27)28-17-20-33-21-18-28/h2-18,20-21,29-30,32H,19,22-24H2,1H3
InChIKeyHISLUEHODNDPIG-UHFFFAOYSA-N
XLogP5.93
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3,3-diphenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 134046931
1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
CID 3536798
(3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 25293793
4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine
CID 22970094
3-benzhydryl-1-[(1-benzhydrylpyrrolidin-3-yl)methyl]-1-methylurea
CID 58911298
4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 71924374
2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
CID 1439299
N-methyl-2-(4-phenylphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide;hydrochloride
CID 10156170
(1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid
CID 69107586
4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carbonitrile
CID 69378274
1-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 3388039
ethyl 4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxylate
CID 10324784

Frequently Asked Questions

What is the IUPAC name of N-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of N-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide (CID 69057549) is N-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide is CN(C(=O)CC(c1ccccc1)c1ccccc1)C1CCN(C(c2ccccc2)c2ccncc2)C1.
What is the InChIKey of N-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide?
The InChIKey is HISLUEHODNDPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O/c1-34(31(36)23-30(25-11-5-2-6-12-25)26-13-7-3-8-14-26)29-19-22-35(24-29)32(27-15-9-4-10-16-27)28-17-20-33-21-18-28/h2-18,20-21,29-30,32H,19,22-24H2,1H3.
What are the key properties of N-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide?
N-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide has a molecular weight of 475.64 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 69057549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).