propan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate

C27H32N4O2 — CID 67323173

IUPACpropan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate
SMILESCCN(Cc1ccccc1-c1cccnc1)[C@@H]1CCN(c2ncccc2C(=O)OC(C)C)C1
InChIInChI=1S/C27H32N4O2/c1-4-30(18-22-9-5-6-11-24(22)21-10-7-14-28-17-21)23-13-16-31(19-23)26-25(12-8-15-29-26)27(32)33-20(2)3/h5-12,14-15,17,20,23H,4,13,16,18-19H2,1-3H3/t23-/m1/s1
InChIKeyFDSMNKJVTPGORW-HSZRJFAPSA-N
MW444.58 g/mol
LogP4.81
Rot. Bonds8

About propan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate

propan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate (PubChem CID 67323173) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is propan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate
PubChem CID67323173
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Namepropan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate
SMILESCCN(Cc1ccccc1-c1cccnc1)[C@@H]1CCN(c2ncccc2C(=O)OC(C)C)C1
InChIInChI=1S/C27H32N4O2/c1-4-30(18-22-9-5-6-11-24(22)21-10-7-14-28-17-21)23-13-16-31(19-23)26-25(12-8-15-29-26)27(32)33-20(2)3/h5-12,14-15,17,20,23H,4,13,16,18-19H2,1-3H3/t23-/m1/s1
InChIKeyFDSMNKJVTPGORW-HSZRJFAPSA-N
XLogP4.81
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)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-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 67323054
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-[(2-phenoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate
CID 67322688
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-[[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
propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate
CID 77266799
propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate
CID 98892031
propan-2-yl 2-[(3S)-3-[(4-ethylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 67323448
propan-2-yl 2-[3-[(5-ethylthiophen-2-yl)methyl-methylarsanyl]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 87376536
propan-2-yl 2-[3-[ethyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate
CID 77266892

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate (CID 67323173) is propan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate is CCN(Cc1ccccc1-c1cccnc1)[C@@H]1CCN(c2ncccc2C(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate?
The InChIKey is FDSMNKJVTPGORW-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-4-30(18-22-9-5-6-11-24(22)21-10-7-14-28-17-21)23-13-16-31(19-23)26-25(12-8-15-29-26)27(32)33-20(2)3/h5-12,14-15,17,20,23H,4,13,16,18-19H2,1-3H3/t23-/m1/s1.
What are the key properties of propan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate?
propan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate has a molecular weight of 444.58 g/mol, XLogP of 4.81, 8 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-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 67323173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).