(3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide

C16H16ClN3O — CID 45275778

IUPAC(3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(c2c(Cl)cncc2-c2ccccc2)C1
InChIInChI=1S/C16H16ClN3O/c17-14-9-19-8-13(11-4-2-1-3-5-11)15(14)20-7-6-12(10-20)16(18)21/h1-5,8-9,12H,6-7,10H2,(H2,18,21)/t12-/m0/s1
InChIKeyRCEVRUVGBLYHEY-LBPRGKRZSA-N
MW301.78 g/mol
LogP2.71
Rot. Bonds3

About (3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide

(3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 45275778) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is (3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID45275778
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name(3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(c2c(Cl)cncc2-c2ccccc2)C1
InChIInChI=1S/C16H16ClN3O/c17-14-9-19-8-13(11-4-2-1-3-5-11)15(14)20-7-6-12(10-20)16(18)21/h1-5,8-9,12H,6-7,10H2,(H2,18,21)/t12-/m0/s1
InChIKeyRCEVRUVGBLYHEY-LBPRGKRZSA-N
XLogP2.71
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 45274288
1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide
CID 45275571
1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide
CID 174659372
1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 77230471
1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 175830226
1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 175830062
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847
1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 56815477
1-[3-chloro-5-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]piperidine-4-carboxamide
CID 175270924
(3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane
CID 161148090
1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
CID 117008210

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide (CID 45275778) is (3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide is NC(=O)[C@H]1CCN(c2c(Cl)cncc2-c2ccccc2)C1.
What is the InChIKey of (3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is RCEVRUVGBLYHEY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-14-9-19-8-13(11-4-2-1-3-5-11)15(14)20-7-6-12(10-20)16(18)21/h1-5,8-9,12H,6-7,10H2,(H2,18,21)/t12-/m0/s1.
What are the key properties of (3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide?
(3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 301.78 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 45275778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).