N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-2-carboxamide

C18H27N3O4 — CID 71105622

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-2-carboxamide
SMILESCOCCOc1nc(C(=O)N[C@@H](CC(C)C)C(N)=O)ccc1C1CC1
InChIInChI=1S/C18H27N3O4/c1-11(2)10-15(16(19)22)20-17(23)14-7-6-13(12-4-5-12)18(21-14)25-9-8-24-3/h6-7,11-12,15H,4-5,8-10H2,1-3H3,(H2,19,22)(H,20,23)/t15-/m0/s1
InChIKeyNYYDCWGQJOYTNM-HNNXBMFYSA-N
MW349.43 g/mol
LogP1.61
Rot. Bonds10

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-2-carboxamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-2-carboxamide (PubChem CID 71105622) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-2-carboxamide
PubChem CID71105622
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-2-carboxamide
SMILESCOCCOc1nc(C(=O)N[C@@H](CC(C)C)C(N)=O)ccc1C1CC1
InChIInChI=1S/C18H27N3O4/c1-11(2)10-15(16(19)22)20-17(23)14-7-6-13(12-4-5-12)18(21-14)25-9-8-24-3/h6-7,11-12,15H,4-5,8-10H2,1-3H3,(H2,19,22)(H,20,23)/t15-/m0/s1
InChIKeyNYYDCWGQJOYTNM-HNNXBMFYSA-N
XLogP1.61
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-2-carboxamide (CID 71105622) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-2-carboxamide is COCCOc1nc(C(=O)N[C@@H](CC(C)C)C(N)=O)ccc1C1CC1.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-2-carboxamide?
The InChIKey is NYYDCWGQJOYTNM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-11(2)10-15(16(19)22)20-17(23)14-7-6-13(12-4-5-12)18(21-14)25-9-8-24-3/h6-7,11-12,15H,4-5,8-10H2,1-3H3,(H2,19,22)(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-2-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 1.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(2-methoxyethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71105622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).