5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide

C22H33N3O4 — CID 71093563

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)NCCOC
InChIInChI=1S/C22H33N3O4/c1-4-22(5-2,21(27)23-12-13-28-3)25-19(26)18-11-10-17(16-8-9-16)20(24-18)29-14-15-6-7-15/h10-11,15-16H,4-9,12-14H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyDSJZBTQJBGKLNQ-UHFFFAOYSA-N
MW403.52 g/mol
LogP2.80
Rot. Bonds12

About 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide

5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide (PubChem CID 71093563) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
PubChem CID71093563
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)NCCOC
InChIInChI=1S/C22H33N3O4/c1-4-22(5-2,21(27)23-12-13-28-3)25-19(26)18-11-10-17(16-8-9-16)20(24-18)29-14-15-6-7-15/h10-11,15-16H,4-9,12-14H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyDSJZBTQJBGKLNQ-UHFFFAOYSA-N
XLogP2.80
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide
CID 148777129
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]pyridine-2-carboxamide
CID 71105647
methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate
CID 71087544
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 71105707
methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate
CID 71087876
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide
CID 71087382
N-[(E)-3-[(E)-1-aminoethylideneamino]oxy-2-methylhept-3-en-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 134424154
(1R)-1-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2,2-dimethyl-N-(methylamino)propan-1-amine oxide
CID 163728943
6-(cyclopropylmethoxy)-5-methyl-N-(2-methyl-3-oxopentan-2-yl)pyridine-2-carboxamide
CID 159005952
ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 122179281
2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid
CID 90202405
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 71087224

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide (CID 71093563) is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide is CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)NCCOC.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The InChIKey is DSJZBTQJBGKLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-4-22(5-2,21(27)23-12-13-28-3)25-19(26)18-11-10-17(16-8-9-16)20(24-18)29-14-15-6-7-15/h10-11,15-16H,4-9,12-14H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 2.80, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3-(2-methoxyethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71093563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).