(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide

C14H22N4O — CID 79011469

IUPAC(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1cccnc1N1CCCC1
InChIInChI=1S/C14H22N4O/c1-10(2)12(15)14(19)17-11-6-5-7-16-13(11)18-8-3-4-9-18/h5-7,10,12H,3-4,8-9,15H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyASACQSHXFFIRAX-GFCCVEGCSA-N
MW262.36 g/mol
LogP1.60
Rot. Bonds4

About (2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide

(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide (PubChem CID 79011469) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
PubChem CID79011469
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1cccnc1N1CCCC1
InChIInChI=1S/C14H22N4O/c1-10(2)12(15)14(19)17-11-6-5-7-16-13(11)18-8-3-4-9-18/h5-7,10,12H,3-4,8-9,15H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyASACQSHXFFIRAX-GFCCVEGCSA-N
XLogP1.60
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide 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

2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 43700405
2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
CID 47354331
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 61180497
(2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 61179586
3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 106111464
3-amino-2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 120502859
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
(2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94798718
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379065
3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 115426176

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide (CID 79011469) is (2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide is CC(C)[C@@H](N)C(=O)Nc1cccnc1N1CCCC1.
What is the InChIKey of (2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide?
The InChIKey is ASACQSHXFFIRAX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)12(15)14(19)17-11-6-5-7-16-13(11)18-8-3-4-9-18/h5-7,10,12H,3-4,8-9,15H2,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide?
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide has a molecular weight of 262.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide is sourced from PubChem (CID 79011469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).