N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide

C18H20BrN3O2 — CID 113021511

IUPACN-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide
SMILESCc1cc(Br)ccc1Nc1ccc(NC(=O)C2CCOCC2)cn1
InChIInChI=1S/C18H20BrN3O2/c1-12-10-14(19)2-4-16(12)22-17-5-3-15(11-20-17)21-18(23)13-6-8-24-9-7-13/h2-5,10-11,13H,6-9H2,1H3,(H,20,22)(H,21,23)
InChIKeySKZSXBVOHRWWEN-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.26
Rot. Bonds4

About N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide

N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide (PubChem CID 113021511) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide
PubChem CID113021511
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC NameN-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide
SMILESCc1cc(Br)ccc1Nc1ccc(NC(=O)C2CCOCC2)cn1
InChIInChI=1S/C18H20BrN3O2/c1-12-10-14(19)2-4-16(12)22-17-5-3-15(11-20-17)21-18(23)13-6-8-24-9-7-13/h2-5,10-11,13H,6-9H2,1H3,(H,20,22)(H,21,23)
InChIKeySKZSXBVOHRWWEN-UHFFFAOYSA-N
XLogP4.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113023357
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113020060
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
1-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021512
N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113022700
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113032358
N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113019263
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113019012
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-methylbenzamide
CID 113021502
methyl 3-[[5-(oxane-4-carbonylamino)-2-pyridinyl]amino]benzoate
CID 113020710
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide
CID 113020231

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide (CID 113021511) is N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide is Cc1cc(Br)ccc1Nc1ccc(NC(=O)C2CCOCC2)cn1.
What is the InChIKey of N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide?
The InChIKey is SKZSXBVOHRWWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-12-10-14(19)2-4-16(12)22-17-5-3-15(11-20-17)21-18(23)13-6-8-24-9-7-13/h2-5,10-11,13H,6-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide?
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide has a molecular weight of 390.28 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113021511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).