N-tert-butyl-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide

C18H26N2O3 — CID 71087307

IUPACN-tert-butyl-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)20-16(21)15-9-8-14(12-6-7-12)17(19-15)23-11-13-5-4-10-22-13/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,20,21)
InChIKeyFIIAFYZJPUJQTM-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.05
Rot. Bonds5

About N-tert-butyl-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide

N-tert-butyl-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide (PubChem CID 71087307) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-tert-butyl-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide
PubChem CID71087307
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-tert-butyl-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)20-16(21)15-9-8-14(12-6-7-12)17(19-15)23-11-13-5-4-10-22-13/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,20,21)
InChIKeyFIIAFYZJPUJQTM-UHFFFAOYSA-N
XLogP3.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentyl-6-(cyclopropylmethoxy)-N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide
CID 118421129
(S)-5-Cyclopropyl-6-(cyclopropylmethoxy)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)picolinamide
CID 71087381
2-{[5-Cyclopropyl-6-(tetrahydro-furan-2-ylmethoxy)-pyridine-2-carbonyl]-amino}-2-ethyl-butyric acid methyl ester
CID 71087666
N-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide
CID 118474092
Ethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 122179279
2-[(6-Cyclopropylmethoxy-5-trifluoromethyl-pyridine-2-carbonyl)-amino]-2-ethyl-butyric acid methyl ester
CID 71087209
(R)-N-(2-Amino-2-oxo-1-phenylethyl)-5-cyclopropyl-6-(cyclopropylmethoxy)picolinamide
CID 71087216
(S)-N-(2-Amino-2-oxo-1-phenylethyl)-5-cyclopropyl-6-(cyclopropylmethoxy)picolinamide
CID 71087224
N-(1-Amino-2,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)picolinamide
CID 71087257
N-(1-Amino-2-methyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)picolinamide
CID 71087329
2-{[6-Cyclopropylmethoxy-5-(tetrahydro-pyran-4-yl)-pyridine-2-carbonyl]-amino}-2-methyl-propionic acid methyl ester
CID 71087340
2-[(5-Cyclopropyl-6-cyclopropylmethoxy-pyridine-2-carbonyl)-amino]-2-ethyl-butyric acid methyl ester
CID 71087351

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide (CID 71087307) is N-tert-butyl-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide is CC(C)(C)NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1.
What is the InChIKey of N-tert-butyl-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide?
The InChIKey is FIIAFYZJPUJQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,3)20-16(21)15-9-8-14(12-6-7-12)17(19-15)23-11-13-5-4-10-22-13/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-tert-butyl-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide?
N-tert-butyl-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71087307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).