propan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate

C17H24N2O3 — CID 133473797

IUPACpropan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1NC1CCOC(C2CC2)C1
InChIInChI=1S/C17H24N2O3/c1-11(2)22-17(20)14-4-3-8-18-16(14)19-13-7-9-21-15(10-13)12-5-6-12/h3-4,8,11-13,15H,5-7,9-10H2,1-2H3,(H,18,19)
InChIKeyCBQQCWPPZMXOBK-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.02
Rot. Bonds5

About propan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate

propan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate (PubChem CID 133473797) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is propan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate
PubChem CID133473797
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namepropan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1NC1CCOC(C2CC2)C1
InChIInChI=1S/C17H24N2O3/c1-11(2)22-17(20)14-4-3-8-18-16(14)19-13-7-9-21-15(10-13)12-5-6-12/h3-4,8,11-13,15H,5-7,9-10H2,1-2H3,(H,18,19)
InChIKeyCBQQCWPPZMXOBK-UHFFFAOYSA-N
XLogP3.02
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 133470577
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate
CID 103082179
methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate
CID 133473769
3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 133473466
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
CID 60722799
methyl 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylate
CID 90092997
methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
CID 62407549
propan-2-yl 2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)pyridine-3-carboxylate
CID 75522944
3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66032571
propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352925

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate (CID 133473797) is propan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate is CC(C)OC(=O)c1cccnc1NC1CCOC(C2CC2)C1.
What is the InChIKey of propan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate?
The InChIKey is CBQQCWPPZMXOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11(2)22-17(20)14-4-3-8-18-16(14)19-13-7-9-21-15(10-13)12-5-6-12/h3-4,8,11-13,15H,5-7,9-10H2,1-2H3,(H,18,19).
What are the key properties of propan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate?
propan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(2-cyclopropyloxan-4-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 133473797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).