(2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

C21H22N4OS — CID 42595260

IUPAC(2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(CN2CCC[C@@H]2C(=O)Nc2ccc(-c3cscn3)cc2)n1
InChIInChI=1S/C21H22N4OS/c1-15-4-2-5-18(23-15)12-25-11-3-6-20(25)21(26)24-17-9-7-16(8-10-17)19-13-27-14-22-19/h2,4-5,7-10,13-14,20H,3,6,11-12H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyNTENOXRVMBGWAD-HXUWFJFHSA-N
MW378.50 g/mol
LogP4.12
Rot. Bonds5

About (2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 42595260) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is (2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID42595260
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name(2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(CN2CCC[C@@H]2C(=O)Nc2ccc(-c3cscn3)cc2)n1
InChIInChI=1S/C21H22N4OS/c1-15-4-2-5-18(23-15)12-25-11-3-6-20(25)21(26)24-17-9-7-16(8-10-17)19-13-27-14-22-19/h2,4-5,7-10,13-14,20H,3,6,11-12H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyNTENOXRVMBGWAD-HXUWFJFHSA-N
XLogP4.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42595262
N-[4-(1,3-thiazol-4-yl)phenyl]-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 45192719
(2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461535
(2S)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461531
(2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 26315736
(2R)-1-[(E)-2-methylbut-2-enyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42241276
1-[(1-methylimidazol-2-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 45243042
(2R)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 25366566
(2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42192308
(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 26315659
1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 70757490
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 45211803

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (CID 42595260) is (2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is Cc1cccc(CN2CCC[C@@H]2C(=O)Nc2ccc(-c3cscn3)cc2)n1.
What is the InChIKey of (2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is NTENOXRVMBGWAD-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-15-4-2-5-18(23-15)12-25-11-3-6-20(25)21(26)24-17-9-7-16(8-10-17)19-13-27-14-22-19/h2,4-5,7-10,13-14,20H,3,6,11-12H2,1H3,(H,24,26)/t20-/m1/s1.
What are the key properties of (2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 42595260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).