(2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide

C12H21N5O — CID 56705454

IUPAC(2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](n2cc(CC(C)C)nn2)CN1
InChIInChI=1S/C12H21N5O/c1-8(2)4-9-7-17(16-15-9)10-5-11(14-6-10)12(18)13-3/h7-8,10-11,14H,4-6H2,1-3H3,(H,13,18)/t10-,11+/m1/s1
InChIKeyCYBKYBFFDRHZEL-MNOVXSKESA-N
MW251.33 g/mol
LogP0.13
Rot. Bonds4

About (2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide

(2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide (PubChem CID 56705454) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide
PubChem CID56705454
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name(2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](n2cc(CC(C)C)nn2)CN1
InChIInChI=1S/C12H21N5O/c1-8(2)4-9-7-17(16-15-9)10-5-11(14-6-10)12(18)13-3/h7-8,10-11,14H,4-6H2,1-3H3,(H,13,18)/t10-,11+/m1/s1
InChIKeyCYBKYBFFDRHZEL-MNOVXSKESA-N
XLogP0.13
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide 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

CD-Mono-LK-DP
CID 16129560
YU-Mono-IK-DP
CID 16129558
CD-Mono-IK-DP
CID 16129536
AS-Mono-VN-DP
CID 25162988
CD-Mono-LI-DP
CID 16129571
AS-Mono-IN-DP
CID 25163375
(5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 28786488
N-((1S)-1-{[4-(4-isobutyl-1H-1,2,3-triazol-1-yl)piperidin-1-yl]carbonyl}-3-methylbutyl)acetamide
CID 46992512
(4S)-4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-N-ethyl-L-prolinamide
CID 56707869
(4R)-4-{4-[(diethylamino)methyl]-1H-1,2,3-triazol-1-yl}-N-ethyl-L-prolinamide
CID 56715148
(4R)-4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-N-ethyl-L-prolinamide
CID 56720817
KRAS inhibitor-11
CID 163196440

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide (CID 56705454) is (2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](n2cc(CC(C)C)nn2)CN1.
What is the InChIKey of (2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide?
The InChIKey is CYBKYBFFDRHZEL-MNOVXSKESA-N. The full InChI is InChI=1S/C12H21N5O/c1-8(2)4-9-7-17(16-15-9)10-5-11(14-6-10)12(18)13-3/h7-8,10-11,14H,4-6H2,1-3H3,(H,13,18)/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide?
(2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-methyl-4-[4-(2-methylpropyl)triazol-1-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56705454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).