(3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide

C19H23N3OS — CID 95934138

IUPAC(3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cccnc1CNC(=O)N1CC[C@@H](CSc2ccccc2)C1
InChIInChI=1S/C19H23N3OS/c1-15-6-5-10-20-18(15)12-21-19(23)22-11-9-16(13-22)14-24-17-7-3-2-4-8-17/h2-8,10,16H,9,11-14H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyVRKDJFMSYDKUSW-MRXNPFEDSA-N
MW341.48 g/mol
LogP3.71
Rot. Bonds5

About (3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide

(3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide (PubChem CID 95934138) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is (3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
PubChem CID95934138
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name(3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cccnc1CNC(=O)N1CC[C@@H](CSc2ccccc2)C1
InChIInChI=1S/C19H23N3OS/c1-15-6-5-10-20-18(15)12-21-19(23)22-11-9-16(13-22)14-24-17-7-3-2-4-8-17/h2-8,10,16H,9,11-14H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyVRKDJFMSYDKUSW-MRXNPFEDSA-N
XLogP3.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 113232203
3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 111104361
(3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 96566331
[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 96568451
N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 111470923
5-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685819
5-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119139486
2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 63309541
(3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 97240765
2-[[N-methyl-C-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]carbonimidoyl]amino]-N-phenylacetamide
CID 111749235
N'-methyl-3-(phenylsulfanylmethyl)-N-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111748994
(2R)-2-methylsulfanyl-1-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 96568475

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide (CID 95934138) is (3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide is Cc1cccnc1CNC(=O)N1CC[C@@H](CSc2ccccc2)C1.
What is the InChIKey of (3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is VRKDJFMSYDKUSW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-15-6-5-10-20-18(15)12-21-19(23)22-11-9-16(13-22)14-24-17-7-3-2-4-8-17/h2-8,10,16H,9,11-14H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of (3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide?
(3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95934138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).