(2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide

C18H28N2O3 — CID 100778809

IUPAC(2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide
SMILESCCCOc1ncc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1C
InChIInChI=1S/C18H28N2O3/c1-5-9-22-16-13(3)11-15(12-19-16)20-17(21)18(4,14-7-8-14)23-10-6-2/h11-12,14H,5-10H2,1-4H3,(H,20,21)/t18-/m0/s1
InChIKeyPVJDBPKTIQGQFM-SFHVURJKSA-N
MW320.43 g/mol
LogP3.71
Rot. Bonds9

About (2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide

(2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide (PubChem CID 100778809) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide
PubChem CID100778809
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide
SMILESCCCOc1ncc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1C
InChIInChI=1S/C18H28N2O3/c1-5-9-22-16-13(3)11-15(12-19-16)20-17(21)18(4,14-7-8-14)23-10-6-2/h11-12,14H,5-10H2,1-4H3,(H,20,21)/t18-/m0/s1
InChIKeyPVJDBPKTIQGQFM-SFHVURJKSA-N
XLogP3.71
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide 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

(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-cyclopropyl-2-methoxypropanamide
CID 100775841
(2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide
CID 100718308
(2S)-2-cyclopropyl-2-propoxy-N-(6-propoxy-3-pyridinyl)propanamide
CID 100778739
2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide
CID 100773444
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104
(2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide
CID 100709750
(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778205
(2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide
CID 100776691
(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100718617
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100717361
2-ethoxy-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-2-methylpropanamide
CID 100775954
ethyl 5-[[(2S)-2-cyclopropyl-2-propoxypropanoyl]amino]-2-propoxybenzoate
CID 100768779

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide?
The IUPAC name of (2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide (CID 100778809) is (2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide.
What is the SMILES notation for (2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide?
The canonical SMILES for (2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide is CCCOc1ncc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1C.
What is the InChIKey of (2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide?
The InChIKey is PVJDBPKTIQGQFM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-9-22-16-13(3)11-15(12-19-16)20-17(21)18(4,14-7-8-14)23-10-6-2/h11-12,14H,5-10H2,1-4H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide?
(2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide has a molecular weight of 320.43 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide is sourced from PubChem (CID 100778809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).