propan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate

C29H35N3O3 — CID 67323054

IUPACpropan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate
SMILESCCN(Cc1ccc(-c2ccc(OC)cc2)cc1)[C@@H]1CCN(c2ncccc2C(=O)OC(C)C)C1
InChIInChI=1S/C29H35N3O3/c1-5-31(19-22-8-10-23(11-9-22)24-12-14-26(34-4)15-13-24)25-16-18-32(20-25)28-27(7-6-17-30-28)29(33)35-21(2)3/h6-15,17,21,25H,5,16,18-20H2,1-4H3/t25-/m1/s1
InChIKeyKWSWPNZCBAFSPZ-RUZDIDTESA-N
MW473.62 g/mol
LogP5.42
Rot. Bonds9

About propan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate

propan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate (PubChem CID 67323054) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is propan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate
PubChem CID67323054
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Namepropan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate
SMILESCCN(Cc1ccc(-c2ccc(OC)cc2)cc1)[C@@H]1CCN(c2ncccc2C(=O)OC(C)C)C1
InChIInChI=1S/C29H35N3O3/c1-5-31(19-22-8-10-23(11-9-22)24-12-14-26(34-4)15-13-24)25-16-18-32(20-25)28-27(7-6-17-30-28)29(33)35-21(2)3/h6-15,17,21,25H,5,16,18-20H2,1-4H3/t25-/m1/s1
InChIKeyKWSWPNZCBAFSPZ-RUZDIDTESA-N
XLogP5.42
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 2-[(3R)-3-[ethyl-[[4-[[ethyl-[1-(2-methylpropanoyl)pyrrolidin-3-yl]amino]methyl]phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 67323251
propan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 67323173
propan-2-yl 2-[3-[ethyl-[(4-propan-2-yloxycyclohexa-1,3-dien-1-yl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 123327216
propan-2-yl 2-[(3R)-3-[ethyl-[(4-methylphenyl)methyl]amino]pyrrolidin-1-yl]-4-phenylpyridine-3-carboxylate
CID 71233136
propan-2-yl 2-[(3R)-3-[ethyl-[(4-propoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate
CID 67322885
propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate
CID 77266799
propan-2-yl 2-[(3R)-3-[[3-[[(2-chloro-6-fluorobenzoyl)-ethylamino]methyl]phenyl]methyl-ethylamino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 71233487
propan-2-yl 2-[(3R)-3-[[3-[[1-(2-chloro-6-fluorophenyl)propan-2-ylamino]methyl]phenyl]methyl-ethylamino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 67322603
2-[(3R)-3-[ethyl-[(4-thiophen-2-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 141306628
propan-2-yl 2-[4-[[4-[(4-methoxyphenyl)methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 159232746
propan-2-yl 2-[(3S)-3-[(4-ethylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 67323448
propan-2-yl 2-[(3S)-3-[[3-(4-methoxyphenoxy)phenyl]methylamino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 71203722

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate (CID 67323054) is propan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate is CCN(Cc1ccc(-c2ccc(OC)cc2)cc1)[C@@H]1CCN(c2ncccc2C(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate?
The InChIKey is KWSWPNZCBAFSPZ-RUZDIDTESA-N. The full InChI is InChI=1S/C29H35N3O3/c1-5-31(19-22-8-10-23(11-9-22)24-12-14-26(34-4)15-13-24)25-16-18-32(20-25)28-27(7-6-17-30-28)29(33)35-21(2)3/h6-15,17,21,25H,5,16,18-20H2,1-4H3/t25-/m1/s1.
What are the key properties of propan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate?
propan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate has a molecular weight of 473.62 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 67323054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).