N-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide

C13H18BrN3O2 — CID 79733517

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C13H18BrN3O2/c1-3-15-11-7-19-6-9(11)13(18)17-12-4-8(2)10(14)5-16-12/h4-5,9,11,15H,3,6-7H2,1-2H3,(H,16,17,18)
InChIKeyKVGBUILAJTWQMB-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.72
Rot. Bonds4

About N-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide

N-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 79733517) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide
PubChem CID79733517
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C13H18BrN3O2/c1-3-15-11-7-19-6-9(11)13(18)17-12-4-8(2)10(14)5-16-12/h4-5,9,11,15H,3,6-7H2,1-2H3,(H,16,17,18)
InChIKeyKVGBUILAJTWQMB-UHFFFAOYSA-N
XLogP1.72
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-(5-methyl-1H-pyrazol-3-yl)oxolane-3-carboxamide
CID 66260272
N-(2-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 82756801
N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 102853704
N-(2,5-dimethylpyrazol-3-yl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258072
N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107625654
3-bromo-4-[[4-(ethylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66260276
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
4-(ethylamino)-N-(1,2-oxazol-4-yl)oxolane-3-carboxamide
CID 66259686
N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 82867796
N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107611920
5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid
CID 66258924
N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide
CID 79734229

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide (CID 79733517) is N-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)Nc1cc(C)c(Br)cn1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is KVGBUILAJTWQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-3-15-11-7-19-6-9(11)13(18)17-12-4-8(2)10(14)5-16-12/h4-5,9,11,15H,3,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide?
N-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 328.21 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 79733517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).