propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate

C19H23N3O2 — CID 133470577

IUPACpropan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1NC1CCN(c2ccccc2)C1
InChIInChI=1S/C19H23N3O2/c1-14(2)24-19(23)17-9-6-11-20-18(17)21-15-10-12-22(13-15)16-7-4-3-5-8-16/h3-9,11,14-15H,10,12-13H2,1-2H3,(H,20,21)
InChIKeyIOVXDDFYFBXQML-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.34
Rot. Bonds5

About propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate

propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate (PubChem CID 133470577) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate
PubChem CID133470577
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Namepropan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1NC1CCN(c2ccccc2)C1
InChIInChI=1S/C19H23N3O2/c1-14(2)24-19(23)17-9-6-11-20-18(17)21-15-10-12-22(13-15)16-7-4-3-5-8-16/h3-9,11,14-15H,10,12-13H2,1-2H3,(H,20,21)
InChIKeyIOVXDDFYFBXQML-UHFFFAOYSA-N
XLogP3.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate
CID 133473797
2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 133292361
propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352925
propan-2-yl 2-[(3S)-3-[(4-ethylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 67323448
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352908
methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate
CID 62000109
2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid
CID 131019802
2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
CID 20750066
N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 133330173
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
N-[6-[2-[[(3R)-1-phenylpyrrolidin-3-yl]amino]-3-pyridinyl]oxan-2-yl]oxyprop-2-enamide
CID 86603720

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate (CID 133470577) is propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate is CC(C)OC(=O)c1cccnc1NC1CCN(c2ccccc2)C1.
What is the InChIKey of propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate?
The InChIKey is IOVXDDFYFBXQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(2)24-19(23)17-9-6-11-20-18(17)21-15-10-12-22(13-15)16-7-4-3-5-8-16/h3-9,11,14-15H,10,12-13H2,1-2H3,(H,20,21).
What are the key properties of propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate?
propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 133470577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).